6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide

C14H12ClN3O3 — CID 62234937

IUPAC6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C14H12ClN3O3/c1-17(14(19)12-6-3-7-13(15)16-12)9-10-4-2-5-11(8-10)18(20)21/h2-8H,9H2,1H3
InChIKeyCUSMNJCEFMNHOZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.92
Rot. Bonds4

About 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide

6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide (PubChem CID 62234937) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
PubChem CID62234937
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C14H12ClN3O3/c1-17(14(19)12-6-3-7-13(15)16-12)9-10-4-2-5-11(8-10)18(20)21/h2-8H,9H2,1H3
InChIKeyCUSMNJCEFMNHOZ-UHFFFAOYSA-N
XLogP2.92
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide
CID 106686292
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
CID 46404947
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
3-bromo-N-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47234431
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
4-bromo-N,1-dimethyl-N-[(3-nitrophenyl)methyl]pyrrole-2-carboxamide
CID 60955589
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide (CID 62234937) is 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is CUSMNJCEFMNHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-17(14(19)12-6-3-7-13(15)16-12)9-10-4-2-5-11(8-10)18(20)21/h2-8H,9H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide?
6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62234937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).