3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

C13H14ClF3N2O3 — CID 138024027

IUPAC3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O3/c1-19(6-9-7-21-2-3-22-9)12(20)11-10(14)4-8(5-18-11)13(15,16)17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyJZACWNNLIAZPLL-UHFFFAOYSA-N
MW338.71 g/mol
LogP2.24
Rot. Bonds3

About 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 138024027) has the molecular formula C13H14ClF3N2O3 and a molecular weight of 338.71 g/mol. Its IUPAC name is 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID138024027
Molecular FormulaC13H14ClF3N2O3
Molecular Weight338.71 g/mol
Exact Mass338.06
IUPAC Name3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O3/c1-19(6-9-7-21-2-3-22-9)12(20)11-10(14)4-8(5-18-11)13(15,16)17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyJZACWNNLIAZPLL-UHFFFAOYSA-N
XLogP2.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)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

N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25278674
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 29115615
3-amino-4-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 99976360
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 166191312
3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146139841
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
1,4-dioxan-2-ylmethyl(methyl)carbamic acid
CID 68851137
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-N-methylbenzamide
CID 86287110
3-[[(2S)-1,4-dioxan-2-yl]methyl-methylcarbamoyl]-5-methoxybenzoic acid
CID 125439013
6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 86285322
3-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 97150380
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 138024027) is 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is CN(CC1COCCO1)C(=O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JZACWNNLIAZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3/c1-19(6-9-7-21-2-3-22-9)12(20)11-10(14)4-8(5-18-11)13(15,16)17/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 338.71 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 138024027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).