6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide

C13H17ClN2O2 — CID 63711414

IUPAC6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O2/c1-16(8-10-3-2-6-18-9-10)13(17)11-4-5-12(14)15-7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyNSSCUCQRDFDEGM-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.23
Rot. Bonds3

About 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide

6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 63711414) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
PubChem CID63711414
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O2/c1-16(8-10-3-2-6-18-9-10)13(17)11-4-5-12(14)15-7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyNSSCUCQRDFDEGM-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-methyl-N-(oxan-3-ylmethyl)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

Related Compounds

6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
N-methyl-5-(methylamino)-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 104641380
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide (CID 63711414) is 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide is CN(CC1CCCOC1)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NSSCUCQRDFDEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(8-10-3-2-6-18-9-10)13(17)11-4-5-12(14)15-7-11/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63711414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).