4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide

C16H17ClN2O2 — CID 81230651

IUPAC4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnc(C)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10-8-15(17)14(9-18-10)16(20)19-11(2)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3,(H,19,20)
InChIKeyRJOFIILQRWCRLE-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide

4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 81230651) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID81230651
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnc(C)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10-8-15(17)14(9-18-10)16(20)19-11(2)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3,(H,19,20)
InChIKeyRJOFIILQRWCRLE-UHFFFAOYSA-N
XLogP3.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237023
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide (CID 81230651) is 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide is COc1ccc(C(C)NC(=O)c2cnc(C)cc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is RJOFIILQRWCRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-8-15(17)14(9-18-10)16(20)19-11(2)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3,(H,19,20).
What are the key properties of 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.54, 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]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81230651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).