N-(4-Nitrophenyl)-4-(pyrrolidin-1-yl)pyridine-2-carboxamide

HCID 269644

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Basic information

CAS: 66933-53-7
Standard SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(N2CCCC2)ccn1
InChIKey: XHFPAVZMVHDSBS-UHFFFAOYSA-N
Molecular formula: C16H16N4O3
Average molar mass: 312.32 g/mol
Monoisotopic mass: 312.12224039

Names & identifiers

Preferred name: N-(4-Nitrophenyl)-4-(pyrrolidin-1-yl)pyridine-2-carboxamide
IUPAC: N-(4-nitrophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

Names & synonyms

n-(4-nitrophenyl)-4-(pyrrolidin-1-yl)pyridine-2-carboxamide66933-53-7DTXSID20296701RefChem:362199DTXCID20247839NSC111087XHFPAVZMVHDSBS-UHFFFAOYSA-NNSC-111087DS-0116202-Pyridinecarboimidic acid, N-(4-nitrophenyl)-4-pyrrolidino-N-(4-Nitrophenyl)-4-(1-pyrrolidinyl)-2-pyridinecarboximidic acid #N-(4-NITROPHENYL)-4-PYRROLIDIN-1-YL-PYRIDINE-2-CARBOXAMIDE

Database identifiers

CAS: 66933-53-7
PubChem CID: 269644
DTXSID: DTXSID20296701

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 91.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 426

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