2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide

C14H20ClN3O — CID 60668245

IUPAC2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cccnc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-12(6-4-7-16-13)14(19)17-8-5-11-18-9-2-1-3-10-18/h4,6-7H,1-3,5,8-11H2,(H,17,19)
InChIKeyIKUVDCBYEPOMQR-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds5

About 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide

2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 60668245) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID60668245
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cccnc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-12(6-4-7-16-13)14(19)17-8-5-11-18-9-2-1-3-10-18/h4,6-7H,1-3,5,8-11H2,(H,17,19)
InChIKeyIKUVDCBYEPOMQR-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
tert-butyl 4-[2-[(2-chloropyridine-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 138585805
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide (CID 60668245) is 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCCCC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is IKUVDCBYEPOMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-12(6-4-7-16-13)14(19)17-8-5-11-18-9-2-1-3-10-18/h4,6-7H,1-3,5,8-11H2,(H,17,19).
What are the key properties of 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 60668245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).