2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide

C13H12ClN3O — CID 62156439

IUPAC2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1
InChIInChI=1S/C13H12ClN3O/c1-8-2-4-10(5-3-8)16-13(18)9-6-11(14)17-12(15)7-9/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyMBRTYTOLEGKBSQ-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide (PubChem CID 62156439) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
PubChem CID62156439
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1
InChIInChI=1S/C13H12ClN3O/c1-8-2-4-10(5-3-8)16-13(18)9-6-11(14)17-12(15)7-9/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyMBRTYTOLEGKBSQ-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(2-fluoro-4-methylphenyl)pyridine-4-carboxamide
CID 62151947
2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
CID 62153244
2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
2-amino-6-chloro-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 154842220
2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
2-amino-6-chloro-N-(2,6-diethylphenyl)pyridine-4-carboxamide
CID 62153038
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
2-amino-6-chloro-N-(2-iodophenyl)pyridine-4-carboxamide
CID 62154227
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
2-amino-6-chloro-N-(2,5-difluoro-4-methylphenyl)pyridine-4-carboxamide
CID 103587247
2-amino-6-chloro-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 62872287

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide (CID 62156439) is 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1.
What is the InChIKey of 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide?
The InChIKey is MBRTYTOLEGKBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-2-4-10(5-3-8)16-13(18)9-6-11(14)17-12(15)7-9/h2-7H,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 62156439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).