(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide

C11H12N4O — CID 2799818

IUPAC(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
SMILESCN(C)/C=C(\C#N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H12N4O/c1-15(2)8-9(7-12)11(16)14-10-3-5-13-6-4-10/h3-6,8H,1-2H3,(H,13,14,16)/b9-8+
InChIKeyDNJXCVNRBQTUSY-CMDGGOBGSA-N
MW216.24 g/mol
LogP0.99
Rot. Bonds3

About (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide

(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide (PubChem CID 2799818) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
PubChem CID2799818
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
SMILESCN(C)/C=C(\C#N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H12N4O/c1-15(2)8-9(7-12)11(16)14-10-3-5-13-6-4-10/h3-6,8H,1-2H3,(H,13,14,16)/b9-8+
InChIKeyDNJXCVNRBQTUSY-CMDGGOBGSA-N
XLogP0.99
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.99
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'}

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Related Compounds

(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
N-(3-chlorophenyl)-2-cyano-3-(dimethylamino)prop-2-enamide
CID 3759138
(E)-3-(dimethylamino)-2-(pyridine-4-carbonyl)prop-2-enenitrile
CID 14673979
2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
CID 3467239
4-[[(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enoyl]amino]benzenesulfonic acid
CID 108819241
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
2-cyano-3-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)prop-2-enamide
CID 3329094
(E)-2-cyano-3-(dimethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 139217074
(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide
CID 20849753
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108851968

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide (CID 2799818) is (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide is CN(C)/C=C(\C#N)C(=O)Nc1ccncc1.
What is the InChIKey of (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is DNJXCVNRBQTUSY-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15(2)8-9(7-12)11(16)14-10-3-5-13-6-4-10/h3-6,8H,1-2H3,(H,13,14,16)/b9-8+.
What are the key properties of (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide?
(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 216.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 2799818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).