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

C13H12ClN3O — CID 55059942

IUPACN-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C13H12ClN3O/c1-8-3-2-6-16-12(8)13(18)17-11-7-9(15)4-5-10(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyGCUZMJPEMAIOCR-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

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

N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide (PubChem CID 55059942) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide
PubChem CID55059942
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C13H12ClN3O/c1-8-3-2-6-16-12(8)13(18)17-11-7-9(15)4-5-10(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyGCUZMJPEMAIOCR-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 43548778
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
CID 62341176
3-methyl-N-(2-sulfamoylphenyl)pyridine-2-carboxamide
CID 62340174
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
CID 43548813
N-(2-fluoro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339483
2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614444

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide (CID 55059942) is N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide?
The InChIKey is GCUZMJPEMAIOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-3-2-6-16-12(8)13(18)17-11-7-9(15)4-5-10(11)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide?
N-(5-amino-2-chlorophenyl)-3-methylpyridine-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 N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 55059942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).