N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide

C13H12ClN3O — CID 113438955

IUPACN-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccccn1
InChIInChI=1S/C13H12ClN3O/c1-8-6-10(15)9(14)7-12(8)17-13(18)11-4-2-3-5-16-11/h2-7H,15H2,1H3,(H,17,18)
InChIKeyWRYUUSANOJGNNY-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 113438955) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID113438955
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccccn1
InChIInChI=1S/C13H12ClN3O/c1-8-6-10(15)9(14)7-12(8)17-13(18)11-4-2-3-5-16-11/h2-7H,15H2,1H3,(H,17,18)
InChIKeyWRYUUSANOJGNNY-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-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113438958
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 113438955) is N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)c1ccccn1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is WRYUUSANOJGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-6-10(15)9(14)7-12(8)17-13(18)11-4-2-3-5-16-11/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide?
N-(4-amino-5-chloro-2-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 N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113438955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).