2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide

C12H15ClN2O2 — CID 43611005

IUPAC2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c1-15(10-3-6-17-7-4-10)12(16)9-2-5-14-11(13)8-9/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyRHZFHUZNWUOQLV-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.99
Rot. Bonds2

About 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide

2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide (PubChem CID 43611005) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
PubChem CID43611005
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c1-15(10-3-6-17-7-4-10)12(16)9-2-5-14-11(13)8-9/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyRHZFHUZNWUOQLV-UHFFFAOYSA-N
XLogP1.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-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 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide (CID 43611005) is 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide is CN(C(=O)c1ccnc(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide?
The InChIKey is RHZFHUZNWUOQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-15(10-3-6-17-7-4-10)12(16)9-2-5-14-11(13)8-9/h2,5,8,10H,3-4,6-7H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide?
2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 43611005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).