5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

C16H18ClN3O — CID 109181120

IUPAC5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O/c1-11(2)9-19-16(21)15-7-6-14(10-18-15)20-13-5-3-4-12(17)8-13/h3-8,10-11,20H,9H2,1-2H3,(H,19,21)
InChIKeyLPTKSALELYWYAD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.86
Rot. Bonds5

About 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181120) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181120
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O/c1-11(2)9-19-16(21)15-7-6-14(10-18-15)20-13-5-3-4-12(17)8-13/h3-8,10-11,20H,9H2,1-2H3,(H,19,21)
InChIKeyLPTKSALELYWYAD-UHFFFAOYSA-N
XLogP3.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181155
5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181136
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181090
N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181187

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181120) is 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(Nc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is LPTKSALELYWYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(2)9-19-16(21)15-7-6-14(10-18-15)20-13-5-3-4-12(17)8-13/h3-8,10-11,20H,9H2,1-2H3,(H,19,21).
What are the key properties of 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).