4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide

C15H11N5O3 — CID 45028411

IUPAC4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-n2cnc([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C15H11N5O3/c21-15(18-11-4-2-1-3-5-11)13-8-12(6-7-16-13)19-9-14(17-10-19)20(22)23/h1-10H,(H,18,21)
InChIKeyBUCRYCAVTCYQRX-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.43
Rot. Bonds4

About 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide

4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide (PubChem CID 45028411) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide
PubChem CID45028411
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-n2cnc([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C15H11N5O3/c21-15(18-11-4-2-1-3-5-11)13-8-12(6-7-16-13)19-9-14(17-10-19)20(22)23/h1-10H,(H,18,21)
InChIKeyBUCRYCAVTCYQRX-UHFFFAOYSA-N
XLogP2.43
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-nitroimidazol-1-yl)aniline
CID 23906338
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
1-phenyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 100825086
2-(4-nitroimidazol-1-yl)-N-(phenylcarbamoyl)acetamide
CID 24650223
4-(4-nitroimidazol-1-yl)quinoline-2-carboxylic acid
CID 63374282
2-nitro-N-phenylpyrazole-3-carboxamide
CID 69091209
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 70802176
1-(3,4-dimethoxyphenyl)-4-nitroimidazole
CID 53231877
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58102989
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide (CID 45028411) is 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1cc(-n2cnc([N+](=O)[O-])c2)ccn1.
What is the InChIKey of 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide?
The InChIKey is BUCRYCAVTCYQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c21-15(18-11-4-2-1-3-5-11)13-8-12(6-7-16-13)19-9-14(17-10-19)20(22)23/h1-10H,(H,18,21).
What are the key properties of 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide?
4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 45028411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).