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N4-(3-isopropoxypropyl)[1,5]naphthyridine-3,4-diamine

HCID 54100366
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)OCCCNc1c(N)cnc2cccnc12
InChIKey
NACQOSQIBYXWLO-UHFFFAOYSA-N
Molecular formula
C14H20N4O
Average molar mass
260.33 g/mol

Names & identifiers

Preferred name
N4-(3-isopropoxypropyl)[1,5]naphthyridine-3,4-diamine
IUPAC
4-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3,4-diamine

Names & synonyms

SCHEMBL6387545NACQOSQIBYXWLO-UHFFFAOYSA-NN4-(3-isopropoxypropyl)[1,5]naphthyridine-3,4-diamine

Database identifiers

PubChem CID
54100366

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
73.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
262

Related reactions

13 records
New reaction record
HRID 47494 reaction equation
HRID 47494As productuspto-grants-2004_03
HRID 352509 reaction equation
HRID 352509As productuspto-grants-2004_06
HRID 497778 reaction equation
HRID 497778As productuspto-grants-2005_09
HRID 636622 reaction equation
HRID 636622As productuspto-grants-2001_02
HRID 700790 reaction equation
HRID 700790As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 989111 reaction equation
HRID 989111As productuspto-grants-2003_10
HRID 1007813 reaction equation
HRID 1007813As productuspto-grants-2004_09
HRID 1057567 reaction equation
HRID 1057567As productuspto-grants-2003_02
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Compound notes

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