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

C15H15ClN2O2 — CID 66462846

IUPAC3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10(11-5-3-4-6-14(11)20-2)18-15(19)12-7-8-17-9-13(12)16/h3-10H,1-2H3,(H,18,19)
InChIKeyJKHPHTJAIQRKOE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.23
Rot. Bonds4

About 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 66462846) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID66462846
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10(11-5-3-4-6-14(11)20-2)18-15(19)12-7-8-17-9-13(12)16/h3-10H,1-2H3,(H,18,19)
InChIKeyJKHPHTJAIQRKOE-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

3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 66462846) is 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccccc1C(C)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is JKHPHTJAIQRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(11-5-3-4-6-14(11)20-2)18-15(19)12-7-8-17-9-13(12)16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-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 3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66462846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).