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

C13H12ClN3O — CID 105068439

IUPAC3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2N)c(Cl)c1
InChIInChI=1S/C13H12ClN3O/c1-8-2-3-12(10(14)6-8)17-13(18)9-4-5-16-7-11(9)15/h2-7H,15H2,1H3,(H,17,18)
InChIKeySMEQDUSYTPGOFM-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide

3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide (PubChem CID 105068439) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
PubChem CID105068439
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2N)c(Cl)c1
InChIInChI=1S/C13H12ClN3O/c1-8-2-3-12(10(14)6-8)17-13(18)9-4-5-16-7-11(9)15/h2-7H,15H2,1H3,(H,17,18)
InChIKeySMEQDUSYTPGOFM-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

N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068441
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide
CID 110859454
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
CID 63062252
3-amino-5-bromo-N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 107872142
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide (CID 105068439) is 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccncc2N)c(Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide?
The InChIKey is SMEQDUSYTPGOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-2-3-12(10(14)6-8)17-13(18)9-4-5-16-7-11(9)15/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide?
3-amino-N-(2-chloro-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 3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105068439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).