2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide

C14H15N3O2 — CID 3743804

IUPAC2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide
SMILESN#CC(=Cc1ccncc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H15N3O2/c15-9-12(8-11-3-5-16-6-4-11)14(18)17-10-13-2-1-7-19-13/h3-6,8,13H,1-2,7,10H2,(H,17,18)
InChIKeyMYAFCKSUJDSXKQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.28
Rot. Bonds4

About 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide

2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 3743804) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID3743804
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide
SMILESN#CC(=Cc1ccncc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H15N3O2/c15-9-12(8-11-3-5-16-6-4-11)14(18)17-10-13-2-1-7-19-13/h3-6,8,13H,1-2,7,10H2,(H,17,18)
InChIKeyMYAFCKSUJDSXKQ-UHFFFAOYSA-N
XLogP1.28
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide 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

(Z)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 2369962
(Z)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 1085187
(E)-3-(4-tert-butylphenyl)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 789332
2-cyano-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3118606
(E)-2-cyano-3-(4-methylsulfanylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 27128367
2-cyano-3-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3118609
(E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 40656190
(E)-2-cyano-3-(3-hydroxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 768200
(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 6387176
(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 768262
(E)-3-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 126204395
(E)-2-cyano-3-(5-iodofuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 1117826

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide (CID 3743804) is 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide is N#CC(=Cc1ccncc1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is MYAFCKSUJDSXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-9-12(8-11-3-5-16-6-4-11)14(18)17-10-13-2-1-7-19-13/h3-6,8,13H,1-2,7,10H2,(H,17,18).
What are the key properties of 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide?
2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 257.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 3743804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).