N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide

C14H20N2O2 — CID 110690019

IUPACN-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-16(9-4-12-2-7-15-8-3-12)14(17)13-5-10-18-11-6-13/h2-3,7-8,13H,4-6,9-11H2,1H3
InChIKeyQYPAVVGKBNKENJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide (PubChem CID 110690019) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
PubChem CID110690019
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-16(9-4-12-2-7-15-8-3-12)14(17)13-5-10-18-11-6-13/h2-3,7-8,13H,4-6,9-11H2,1H3
InChIKeyQYPAVVGKBNKENJ-UHFFFAOYSA-N
XLogP1.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(2-pyridin-4-ylethyl)oxane-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

Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 120801738
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 109146245
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
2-[2-[methyl(oxane-4-carbonyl)amino]ethyl]benzoic acid
CID 104546867
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149214

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide (CID 110690019) is N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide is CN(CCc1ccncc1)C(=O)C1CCOCC1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
The InChIKey is QYPAVVGKBNKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(9-4-12-2-7-15-8-3-12)14(17)13-5-10-18-11-6-13/h2-3,7-8,13H,4-6,9-11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 110690019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).