3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide

C15H15ClN2O2 — CID 66483370

IUPAC3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-9-20-12-5-3-11(4-6-12)18-15(19)13-7-8-17-10-14(13)16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyAXXQXXMGUDGQCW-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.78
Rot. Bonds5

About 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide

3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide (PubChem CID 66483370) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
PubChem CID66483370
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-9-20-12-5-3-11(4-6-12)18-15(19)13-7-8-17-10-14(13)16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyAXXQXXMGUDGQCW-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
CID 106501743
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105067886
N-(4-ethoxyphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071538
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
3-chloro-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyridine-4-carboxamide
CID 75384334
2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 138041122
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide (CID 66483370) is 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide is CCCOc1ccc(NC(=O)c2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide?
The InChIKey is AXXQXXMGUDGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-9-20-12-5-3-11(4-6-12)18-15(19)13-7-8-17-10-14(13)16/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide?
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).