5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide

C14H20ClN3O2 — CID 82743264

IUPAC5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)C2CCOC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-3-5-16-13-12(15)7-10(8-17-13)14(19)18(2)11-4-6-20-9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyXLYXGDHRUUXSBQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.42
Rot. Bonds5

About 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide

5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 82743264) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID82743264
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)C2CCOC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-3-5-16-13-12(15)7-10(8-17-13)14(19)18(2)11-4-6-20-9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyXLYXGDHRUUXSBQ-UHFFFAOYSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-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-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide (CID 82743264) is 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)N(C)C2CCOC2)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is XLYXGDHRUUXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-5-16-13-12(15)7-10(8-17-13)14(19)18(2)11-4-6-20-9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 82743264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).