4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide

C13H10ClN3O3 — CID 81225012

IUPAC4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cnccc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-12-5-6-15-8-11(12)13(18)16-7-9-1-3-10(4-2-9)17(19)20/h1-6,8H,7H2,(H,16,18)
InChIKeyRHVZOLVHLHSFLA-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.57
Rot. Bonds4

About 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide

4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide (PubChem CID 81225012) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
PubChem CID81225012
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cnccc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-12-5-6-15-8-11(12)13(18)16-7-9-1-3-10(4-2-9)17(19)20/h1-6,8H,7H2,(H,16,18)
InChIKeyRHVZOLVHLHSFLA-UHFFFAOYSA-N
XLogP2.57
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 107358761
N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
CID 81229372
2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71888436
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
5-chloro-N-[(4-nitrophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624993
6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 24903452
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
2-chloro-4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17486644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide (CID 81225012) is 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is RHVZOLVHLHSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-12-5-6-15-8-11(12)13(18)16-7-9-1-3-10(4-2-9)17(19)20/h1-6,8H,7H2,(H,16,18).
What are the key properties of 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81225012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).