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

C17H17ClN2O — CID 66484894

IUPAC3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccncc2Cl)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)11-20(14-6-7-14)17(21)15-8-9-19-10-16(15)18/h2-5,8-10,14H,6-7,11H2,1H3
InChIKeyGNZQIEUXWMTIKT-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.85
Rot. Bonds4

About 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 66484894) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID66484894
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccncc2Cl)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)11-20(14-6-7-14)17(21)15-8-9-19-10-16(15)18/h2-5,8-10,14H,6-7,11H2,1H3
InChIKeyGNZQIEUXWMTIKT-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
CID 102872187
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 66482961
5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 32590292
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 32590253

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 66484894) is 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccc(CN(C(=O)c2ccncc2Cl)C2CC2)cc1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is GNZQIEUXWMTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)11-20(14-6-7-14)17(21)15-8-9-19-10-16(15)18/h2-5,8-10,14H,6-7,11H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).