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

C13H12ClN3O — CID 55042017

IUPAC6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc(N)ccc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c1-8-2-4-9(5-3-8)16-13(18)12-10(14)6-7-11(15)17-12/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyIBLAQUBIKVJGJA-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

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

6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 55042017) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID55042017
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc(N)ccc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c1-8-2-4-9(5-3-8)16-13(18)12-10(14)6-7-11(15)17-12/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyIBLAQUBIKVJGJA-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-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide
CID 82758071
6-amino-3-chloro-N-thiophen-3-ylpyridine-2-carboxamide
CID 66355896
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
6-amino-3-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide
CID 62152887
6-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 55042171
6-amino-3-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114389361
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
CID 39280839
2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62156439
6-amino-3-chloro-N-(2-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 55041524
6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 62156588

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide (CID 55042017) is 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2nc(N)ccc2Cl)cc1.
What is the InChIKey of 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is IBLAQUBIKVJGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-2-4-9(5-3-8)16-13(18)12-10(14)6-7-11(15)17-12/h2-7H,1H3,(H2,15,17)(H,16,18).
What are the key properties of 6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide?
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-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-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 55042017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).