6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide

C13H17ClN2O2 — CID 55052209

IUPAC6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-16(9-10-5-2-3-8-18-10)13(17)11-6-4-7-12(14)15-11/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyKGCBLELVXZZWDM-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.38
Rot. Bonds3

About 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide

6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 55052209) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID55052209
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-16(9-10-5-2-3-8-18-10)13(17)11-6-4-7-12(14)15-11/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyKGCBLELVXZZWDM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-2-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

Related Compounds

5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107252486
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-1,8-naphthyridine-2-carboxamide
CID 95189773
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 95550396
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489
2-amino-6-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 63660209
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide (CID 55052209) is 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide is CN(CC1CCCCO1)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KGCBLELVXZZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(9-10-5-2-3-8-18-10)13(17)11-6-4-7-12(14)15-11/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.38, 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-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 55052209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).