N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide

C17H18ClN3O2 — CID 60532137

IUPACN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)n1
InChIInChI=1S/C17H18ClN3O2/c1-10(2)19-16(22)12-7-8-13(18)15(9-12)21-17(23)14-6-4-5-11(3)20-14/h4-10H,1-3H3,(H,19,22)(H,21,23)
InChIKeyACOZWABUKAAALM-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.43
Rot. Bonds4

About N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide

N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 60532137) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
PubChem CID60532137
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)n1
InChIInChI=1S/C17H18ClN3O2/c1-10(2)19-16(22)12-7-8-13(18)15(9-12)21-17(23)14-6-4-5-11(3)20-14/h4-10H,1-3H3,(H,19,22)(H,21,23)
InChIKeyACOZWABUKAAALM-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 31930381
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
CID 74251520
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52662520
1-benzyl-5-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55817240
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 47021822

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide (CID 60532137) is N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)n1.
What is the InChIKey of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is ACOZWABUKAAALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-10(2)19-16(22)12-7-8-13(18)15(9-12)21-17(23)14-6-4-5-11(3)20-14/h4-10H,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide?
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 60532137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).