2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide

C13H11ClN4O3 — CID 62153244

IUPAC2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN4O3/c1-7-2-3-9(6-10(7)18(20)21)16-13(19)8-4-11(14)17-12(15)5-8/h2-6H,1H3,(H2,15,17)(H,16,19)
InChIKeyXEVLXSHAUGMPHL-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide (PubChem CID 62153244) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
PubChem CID62153244
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN4O3/c1-7-2-3-9(6-10(7)18(20)21)16-13(19)8-4-11(14)17-12(15)5-8/h2-6H,1H3,(H2,15,17)(H,16,19)
InChIKeyXEVLXSHAUGMPHL-UHFFFAOYSA-N
XLogP2.79
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62871680
2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62156439
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
CID 107812124
2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
CID 26781715
4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
CID 62238018

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide (CID 62153244) is 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is XEVLXSHAUGMPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-7-2-3-9(6-10(7)18(20)21)16-13(19)8-4-11(14)17-12(15)5-8/h2-6H,1H3,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 62153244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).