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

C16H17ClN2O2 — CID 51258291

IUPAC2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C16H17ClN2O2/c1-3-14(11-4-6-13(21-2)7-5-11)19-16(20)12-8-9-18-15(17)10-12/h4-10,14H,3H2,1-2H3,(H,19,20)
InChIKeyXFKAMLZESBCHTR-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.62
Rot. Bonds5

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

2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide (PubChem CID 51258291) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide
PubChem CID51258291
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C16H17ClN2O2/c1-3-14(11-4-6-13(21-2)7-5-11)19-16(20)12-8-9-18-15(17)10-12/h4-10,14H,3H2,1-2H3,(H,19,20)
InChIKeyXFKAMLZESBCHTR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704372
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide (CID 51258291) is 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide is CCC(NC(=O)c1ccnc(Cl)c1)c1ccc(OC)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide?
The InChIKey is XFKAMLZESBCHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-14(11-4-6-13(21-2)7-5-11)19-16(20)12-8-9-18-15(17)10-12/h4-10,14H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide?
2-chloro-N-[1-(4-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 2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 51258291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).