7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

HCID 657663

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Basic information

CAS: 371227-73-5
Standard SMILES: N#Cc1c(NCCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
InChIKey: OGVFWKJUFOQUTG-UHFFFAOYSA-N
Molecular formula: C26H29N5O
Average molar mass: 427.5 g/mol
Monoisotopic mass: 427.23721057

Names & identifiers

Preferred name: 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
IUPAC: 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

Names & synonyms

SMR000038491MLS0000395847-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile7-benzyl-1-(benzylamino)-3-[(3-hydroxypropyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile7-benzyl-1-(benzylamino)-3-((3-hydroxypropyl)amino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile371227-73-5MLS001305260cid_657663CHEMBL1348071BDBM34574DTXSID601333511HMS2291E12

Show more names

STK572030AKOS0054971303-(3-hydroxypropylamino)-7-(phenylmethyl)-1-[(phenylmethyl)amino]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile3-(3-oxidanylpropylamino)-7-(phenylmethyl)-1-[(phenylmethyl)amino]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

Database identifiers

CAS: 371227-73-5
PubChem CID: 657663
DTXSID: DTXSID601333511
ChEMBL: CHEMBL1348071

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 32
Formal charge: 0
Complexity: 594

Experimental & physicochemical properties

Solubility7.7 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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