5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide

C17H17ClN2O — CID 86975241

IUPAC5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(Cl)cn2)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O/c1-11-2-4-12(5-3-11)16(13-6-7-13)20-17(21)15-9-8-14(18)10-19-15/h2-5,8-10,13,16H,6-7H2,1H3,(H,20,21)
InChIKeyROUSPQZMBNEFQP-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.92
Rot. Bonds4

About 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide

5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 86975241) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID86975241
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(Cl)cn2)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O/c1-11-2-4-12(5-3-11)16(13-6-7-13)20-17(21)15-9-8-14(18)10-19-15/h2-5,8-10,13,16H,6-7H2,1H3,(H,20,21)
InChIKeyROUSPQZMBNEFQP-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466
6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119179983
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24625944
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24582542
6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide
CID 61041207
N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24582551

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide (CID 86975241) is 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(C(NC(=O)c2ccc(Cl)cn2)C2CC2)cc1.
What is the InChIKey of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ROUSPQZMBNEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-2-4-12(5-3-11)16(13-6-7-13)20-17(21)15-9-8-14(18)10-19-15/h2-5,8-10,13,16H,6-7H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide?
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 86975241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).