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

C15H15ClN2O2 — CID 60739451

IUPAC4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10(11-3-5-13(20-2)6-4-11)18-15(19)14-9-12(16)7-8-17-14/h3-10H,1-2H3,(H,18,19)
InChIKeyOVGSKKYJRJOAGE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.23
Rot. Bonds4

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

4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 60739451) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID60739451
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10(11-3-5-13(20-2)6-4-11)18-15(19)14-9-12(16)7-8-17-14/h3-10H,1-2H3,(H,18,19)
InChIKeyOVGSKKYJRJOAGE-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
CID 46820321
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 60739451) is 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is OVGSKKYJRJOAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(11-3-5-13(20-2)6-4-11)18-15(19)14-9-12(16)7-8-17-14/h3-10H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 60739451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).