3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide

C14H20ClN3O — CID 66484717

IUPAC3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccncc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-7-18-8-4-11(5-9-18)17-14(19)12-3-6-16-10-13(12)15/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,17,19)
InChIKeyYENHYIOEAJFEKC-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds4

About 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide

3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 66484717) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID66484717
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccncc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-7-18-8-4-11(5-9-18)17-14(19)12-3-6-16-10-13(12)15/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,17,19)
InChIKeyYENHYIOEAJFEKC-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
3-chloro-6-(methylamino)-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 62178316
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (CID 66484717) is 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide is CCCN1CCC(NC(=O)c2ccncc2Cl)CC1.
What is the InChIKey of 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is YENHYIOEAJFEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-7-18-8-4-11(5-9-18)17-14(19)12-3-6-16-10-13(12)15/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,17,19).
What are the key properties of 3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.34, 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-propylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66484717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).