6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide

C13H12ClN3O — CID 122181195

IUPAC6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(Cl)c2)c(N)n1
InChIInChI=1S/C13H12ClN3O/c1-16-13(18)11-6-5-10(12(15)17-11)8-3-2-4-9(14)7-8/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyQUKDVGDLCXIKEW-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.34
Rot. Bonds2

About 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide

6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 122181195) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide
PubChem CID122181195
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(Cl)c2)c(N)n1
InChIInChI=1S/C13H12ClN3O/c1-16-13(18)11-6-5-10(12(15)17-11)8-3-2-4-9(14)7-8/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyQUKDVGDLCXIKEW-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide (CID 122181195) is 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cccc(Cl)c2)c(N)n1.
What is the InChIKey of 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is QUKDVGDLCXIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-16-13(18)11-6-5-10(12(15)17-11)8-3-2-4-9(14)7-8/h2-7H,1H3,(H2,15,17)(H,16,18).
What are the key properties of 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide?
6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122181195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).