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

C14H20ClN3O — CID 81226066

IUPAC4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-5-7-16-11-12(13)14(19)17-6-4-10-18-8-2-1-3-9-18/h5,7,11H,1-4,6,8-10H2,(H,17,19)
InChIKeyPVSQZTHBXHOMNC-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds5

About 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide

4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 81226066) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID81226066
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-5-7-16-11-12(13)14(19)17-6-4-10-18-8-2-1-3-9-18/h5,7,11H,1-4,6,8-10H2,(H,17,19)
InChIKeyPVSQZTHBXHOMNC-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide (CID 81226066) is 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCCCC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is PVSQZTHBXHOMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-5-7-16-11-12(13)14(19)17-6-4-10-18-8-2-1-3-9-18/h5,7,11H,1-4,6,8-10H2,(H,17,19).
What are the key properties of 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
4-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 4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).