2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide

C14H20N2O2 — CID 91918211

IUPAC2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-11(13-4-7-18-8-5-13)14(17)16-10-12-3-2-6-15-9-12/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,16,17)
InChIKeyOOTBJYJPRCRSGF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds4

About 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide

2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 91918211) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID91918211
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-11(13-4-7-18-8-5-13)14(17)16-10-12-3-2-6-15-9-12/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,16,17)
InChIKeyOOTBJYJPRCRSGF-UHFFFAOYSA-N
XLogP1.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide 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-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118880
(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088658
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866
N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120799443
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895156
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 91918211) is 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)NCc1cccnc1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is OOTBJYJPRCRSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(13-4-7-18-8-5-13)14(17)16-10-12-3-2-6-15-9-12/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,16,17).
What are the key properties of 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 91918211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).