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

C16H17ClN2O2 — CID 66484685

IUPAC3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccncc1Cl)c1ccccc1OC
InChIInChI=1S/C16H17ClN2O2/c1-3-14(12-6-4-5-7-15(12)21-2)19-16(20)11-8-9-18-10-13(11)17/h4-10,14H,3H2,1-2H3,(H,19,20)
InChIKeyKVMDTVQNUKPVEX-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.62
Rot. Bonds5

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

3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide (PubChem CID 66484685) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
PubChem CID66484685
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccncc1Cl)c1ccccc1OC
InChIInChI=1S/C16H17ClN2O2/c1-3-14(12-6-4-5-7-15(12)21-2)19-16(20)11-8-9-18-10-13(11)17/h4-10,14H,3H2,1-2H3,(H,19,20)
InChIKeyKVMDTVQNUKPVEX-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
CID 95905491
N-[(1R)-1-(2-methoxyphenyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976267
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66482550
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
CID 75393333

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide (CID 66484685) is 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide is CCC(NC(=O)c1ccncc1Cl)c1ccccc1OC.
What is the InChIKey of 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide?
The InChIKey is KVMDTVQNUKPVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-14(12-6-4-5-7-15(12)21-2)19-16(20)11-8-9-18-10-13(11)17/h4-10,14H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide?
3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.62, 5 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)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).