(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide

C12H13N3O — CID 19183690

IUPAC(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\c1cccnc1
InChIInChI=1S/C12H13N3O/c1-9(2)15-12(16)11(7-13)6-10-4-3-5-14-8-10/h3-6,8-9H,1-2H3,(H,15,16)/b11-6-
InChIKeyBEXFASSOPPNCSB-WDZFZDKYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds3

About (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide

(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide (PubChem CID 19183690) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
PubChem CID19183690
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\c1cccnc1
InChIInChI=1S/C12H13N3O/c1-9(2)15-12(16)11(7-13)6-10-4-3-5-14-8-10/h3-6,8-9H,1-2H3,(H,15,16)/b11-6-
InChIKeyBEXFASSOPPNCSB-WDZFZDKYSA-N
XLogP1.51
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-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-methyl-3-pyridin-3-ylprop-2-enamide
CID 19183466
4,4-dimethyl-3-oxo-2-(pyridin-3-ylmethylidene)pentanenitrile
CID 4987027
N-butyl-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 5020774
(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 2688597
N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 4654702
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
CID 2688662
(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 2713943
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
2-cyano-N-(2-methyl-5-nitrophenyl)-3-pyridin-3-ylprop-2-enamide
CID 3424018
2-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-ylprop-2-enenitrile
CID 53396546

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide (CID 19183690) is (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide is CC(C)NC(=O)/C(C#N)=C\c1cccnc1.
What is the InChIKey of (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is BEXFASSOPPNCSB-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(2)15-12(16)11(7-13)6-10-4-3-5-14-8-10/h3-6,8-9H,1-2H3,(H,15,16)/b11-6-.
What are the key properties of (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 215.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 19183690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).