Methyl 3-[(5-methylpyridin-2-yl)carbamoyl]-5-nitrobenzoate

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Basic information

CAS: 6015-32-3
Standard SMILES: COC(=O)c1cc(C(=O)Nc2ccc(C)cn2)cc([N+](=O)[O-])c1
InChIKey: UGPRSBDACGPIRE-UHFFFAOYSA-N
Molecular formula: C15H13N3O5
Average molar mass: 315.28 g/mol
Monoisotopic mass: 315.08552052

Names & identifiers

Preferred name: Methyl 3-[(5-methylpyridin-2-yl)carbamoyl]-5-nitrobenzoate
IUPAC: methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]-5-nitrobenzoate

Names & synonyms

methyl 3-[(5-methylpyridin-2-yl)carbamoyl]-5-nitrobenzoateMLS0005613146015-32-3SMR000177252N-(5-Methyl-pyridin-2-yl)-5-nitro-isophthalamic acid methyl esterCBMicro_009658Oprea1_081441Oprea1_765936cid_798633CHEMBL1334224BDBM47726DTXSID90975576

Show more names

HMS2399P05SMSF0011373STK396005AKOS003286122CB12497BIM-0009721.P001ST50011203AG-690/15431672

Database identifiers

CAS: 6015-32-3
PubChem CID: 798633
DTXSID: DTXSID90975576
ChEMBL: CHEMBL1334224

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 114 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 465

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Compound notes

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