6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide

C13H12ClN3O — CID 62154043

IUPAC6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1
InChIInChI=1S/C13H12ClN3O/c1-8-2-4-10(5-3-8)17-13(18)9-6-11(14)12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyMBPMYJWFFLGUNC-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide

6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 62154043) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID62154043
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1
InChIInChI=1S/C13H12ClN3O/c1-8-2-4-10(5-3-8)17-13(18)9-6-11(14)12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyMBPMYJWFFLGUNC-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

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Related Compounds

6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763
6-amino-N-(3-bromophenyl)-5-chloropyridine-3-carboxamide
CID 62154024
6-amino-5-chloro-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 166216580
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
6-amino-5-chloro-N-(4-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 62156604
6-amino-5-chloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 62151288
6-amino-5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62185172
2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62156439
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide (CID 62154043) is 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1.
What is the InChIKey of 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is MBPMYJWFFLGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-2-4-10(5-3-8)17-13(18)9-6-11(14)12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-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 6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62154043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).