(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide

C14H18N2O2 — CID 95220390

IUPAC(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
SMILESC=CCN(Cc1cccnc1)C(=O)[C@H]1CCOC1
InChIInChI=1S/C14H18N2O2/c1-2-7-16(10-12-4-3-6-15-9-12)14(17)13-5-8-18-11-13/h2-4,6,9,13H,1,5,7-8,10-11H2/t13-/m0/s1
InChIKeyFMPXPMAWKOJDNG-ZDUSSCGKSA-N
MW246.31 g/mol
LogP1.63
Rot. Bonds5

About (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide

(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide (PubChem CID 95220390) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
PubChem CID95220390
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
SMILESC=CCN(Cc1cccnc1)C(=O)[C@H]1CCOC1
InChIInChI=1S/C14H18N2O2/c1-2-7-16(10-12-4-3-6-15-9-12)14(17)13-5-8-18-11-13/h2-4,6,9,13H,1,5,7-8,10-11H2/t13-/m0/s1
InChIKeyFMPXPMAWKOJDNG-ZDUSSCGKSA-N
XLogP1.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-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

(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
CID 129343717
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
CID 168853730
1-benzyl-1-prop-2-enyl-3-(2-pyridin-3-ylethyl)urea
CID 87003527
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97470540
N-[[4-methoxy-3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 42435212
N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 45174309
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide
CID 42796235

Frequently Asked Questions

What is the IUPAC name of (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide (CID 95220390) is (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide is C=CCN(Cc1cccnc1)C(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide?
The InChIKey is FMPXPMAWKOJDNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-7-16(10-12-4-3-6-15-9-12)14(17)13-5-8-18-11-13/h2-4,6,9,13H,1,5,7-8,10-11H2/t13-/m0/s1.
What are the key properties of (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide?
(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 95220390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).