4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C16H17ClN2O — CID 81226725

IUPAC4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-4-6-13(7-5-11)12(2)19(3)16(20)14-10-18-9-8-15(14)17/h4-10,12H,1-3H3
InChIKeyKVOZYXYLVWCFSW-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.88
Rot. Bonds3

About 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 81226725) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID81226725
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-4-6-13(7-5-11)12(2)19(3)16(20)14-10-18-9-8-15(14)17/h4-10,12H,1-3H3
InChIKeyKVOZYXYLVWCFSW-UHFFFAOYSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 63997006
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761
N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide
CID 139373654
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81226871
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717530
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 81226725) is 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2cnccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is KVOZYXYLVWCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-4-6-13(7-5-11)12(2)19(3)16(20)14-10-18-9-8-15(14)17/h4-10,12H,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81226725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).