N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide

C13H12ClN3O — CID 16785445

IUPACN-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N)cc2Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-8-3-2-4-12(16-8)13(18)17-11-6-5-9(15)7-10(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyNHALHKIWOHMBBP-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide

N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide (PubChem CID 16785445) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
PubChem CID16785445
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N)cc2Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-8-3-2-4-12(16-8)13(18)17-11-6-5-9(15)7-10(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyNHALHKIWOHMBBP-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-methylphenyl)-6-methylpyridine-2-carboxamide
CID 16781532
N-(5-amino-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 16788518
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 62239457
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 31930381

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide (CID 16785445) is N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(N)cc2Cl)n1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is NHALHKIWOHMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-3-2-4-12(16-8)13(18)17-11-6-5-9(15)7-10(11)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide?
N-(4-amino-2-chlorophenyl)-6-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-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 16785445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).