5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C13H18ClN3O — CID 70695435

IUPAC5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cncc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-12-8-11(9-15-10-12)13(18)16-4-7-17-5-2-1-3-6-17/h8-10H,1-7H2,(H,16,18)
InChIKeyJWUPIYBYTRYLRM-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.95
Rot. Bonds4

About 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 70695435) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID70695435
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cncc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-12-8-11(9-15-10-12)13(18)16-4-7-17-5-2-1-3-6-17/h8-10H,1-7H2,(H,16,18)
InChIKeyJWUPIYBYTRYLRM-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 70695435) is 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCCCC1)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is JWUPIYBYTRYLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-12-8-11(9-15-10-12)13(18)16-4-7-17-5-2-1-3-6-17/h8-10H,1-7H2,(H,16,18).
What are the key properties of 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70695435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).