4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

C15H15ClN2O — CID 47161139

IUPAC4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-9-13(16)7-8-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyXPDGRCBRWLDGRK-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.53
Rot. Bonds3

About 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 47161139) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID47161139
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-9-13(16)7-8-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyXPDGRCBRWLDGRK-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 55041957
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62175472
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (CID 47161139) is 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XPDGRCBRWLDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-9-13(16)7-8-17-14/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 47161139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).