5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide

C19H14N6O3 — CID 133384840

IUPAC5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H14N6O3/c20-18(26)15-9-14(25(27)28)10-21-19(15)23-12-6-7-17-16(8-12)22-11-24(17)13-4-2-1-3-5-13/h1-11H,(H2,20,26)(H,21,23)
InChIKeyTXAKXKYHICMYJE-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.17
Rot. Bonds5

About 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide

5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 133384840) has the molecular formula C19H14N6O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide
PubChem CID133384840
Molecular FormulaC19H14N6O3
Molecular Weight374.36 g/mol
Exact Mass374.11
IUPAC Name5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H14N6O3/c20-18(26)15-9-14(25(27)28)10-21-19(15)23-12-6-7-17-16(8-12)22-11-24(17)13-4-2-1-3-5-13/h1-11H,(H2,20,26)(H,21,23)
InChIKeyTXAKXKYHICMYJE-UHFFFAOYSA-N
XLogP3.17
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-2-N-(1-phenylbenzimidazol-5-yl)pyrimidine-2,4-diamine
CID 133384857
3-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-4-carbonitrile
CID 133384862
4-(5-nitrobenzimidazol-1-yl)aniline
CID 827644
2,4-dinitro-N-(4-phenylphenyl)aniline;1-fluoro-2,4-dinitrobenzene;4-methyl-N-[1-(4-phenylphenyl)benzimidazol-5-yl]phthalazin-1-amine;1-(4-phenylphenyl)benzimidazol-5-amine
CID 158348448
N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide
CID 46642196
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133449076
(E)-1-[3-(5-nitrobenzimidazol-1-yl)phenyl]-3-phenylprop-2-en-1-one
CID 171377685
5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
CID 167894502
2-(3-nitroanilino)pyridine-3-carboxamide
CID 901913
4-(4-chlorophenyl)-N-(1-phenylbenzimidazol-5-yl)phthalazin-1-amine
CID 6407149
2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]-5-nitropyridine-3-carboxamide
CID 95974455
2-methyl-4-[(3-methyl-5-nitro-2-pyridinyl)amino]benzoic acid
CID 62476845

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide (CID 133384840) is 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is TXAKXKYHICMYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3/c20-18(26)15-9-14(25(27)28)10-21-19(15)23-12-6-7-17-16(8-12)22-11-24(17)13-4-2-1-3-5-13/h1-11H,(H2,20,26)(H,21,23).
What are the key properties of 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide?
5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133384840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).