N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide

C13H12ClN3O — CID 82862313

IUPACN-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)c(Cl)c2)cn1
InChIInChI=1S/C13H12ClN3O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-12(15)11(14)6-10/h2-7H,15H2,1H3,(H,17,18)
InChIKeyCMSAUUZFRBDMAB-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide

N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 82862313) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
PubChem CID82862313
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)c(Cl)c2)cn1
InChIInChI=1S/C13H12ClN3O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-12(15)11(14)6-10/h2-7H,15H2,1H3,(H,17,18)
InChIKeyCMSAUUZFRBDMAB-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-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(3-hydroxyphenyl)-6-methylpyridine-3-carboxamide
CID 28739709
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N-(6-amino-2,3-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 43548085
N-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide (CID 82862313) is N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(N)c(Cl)c2)cn1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is CMSAUUZFRBDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-12(15)11(14)6-10/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide?
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-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-3-chlorophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 82862313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).