5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C14H19ClN2O2 — CID 56876834

IUPAC5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC1CCOCC1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H19ClN2O2/c1-2-17(10-11-5-7-19-8-6-11)14(18)13-4-3-12(15)9-16-13/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyVSQXAKUYHCFJED-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 56876834) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID56876834
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC1CCOCC1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H19ClN2O2/c1-2-17(10-11-5-7-19-8-6-11)14(18)13-4-3-12(15)9-16-13/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyVSQXAKUYHCFJED-UHFFFAOYSA-N
XLogP2.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 56876834) is 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is CCN(CC1CCOCC1)C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VSQXAKUYHCFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-17(10-11-5-7-19-8-6-11)14(18)13-4-3-12(15)9-16-13/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 56876834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).