(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide

C20H22N4O — CID 108842279

IUPAC(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NCc1ccccc1)CCc1ccncc1
InChIInChI=1S/C20H22N4O/c1-2-24(13-10-17-8-11-22-12-9-17)16-19(14-21)20(25)23-15-18-6-4-3-5-7-18/h3-9,11-12,16H,2,10,13,15H2,1H3,(H,23,25)/b19-16-
InChIKeyRCCWSTOJGCZVGP-MNDPQUGUSA-N
MW334.42 g/mol
LogP2.67
Rot. Bonds8

About (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide

(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide (PubChem CID 108842279) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide
PubChem CID108842279
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NCc1ccccc1)CCc1ccncc1
InChIInChI=1S/C20H22N4O/c1-2-24(13-10-17-8-11-22-12-9-17)16-19(14-21)20(25)23-15-18-6-4-3-5-7-18/h3-9,11-12,16H,2,10,13,15H2,1H3,(H,23,25)/b19-16-
InChIKeyRCCWSTOJGCZVGP-MNDPQUGUSA-N
XLogP2.67
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.67
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)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108842244
4-[[(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enoyl]amino]benzenesulfonic acid
CID 108819241
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-3-[benzyl(2-hydroxyethyl)amino]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837436
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837338
(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848978
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108842235
(Z)-N-benzyl-3-[benzyl(propan-2-yl)amino]-2-cyanoprop-2-enamide
CID 108842126
(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835165
(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837383
(E)-2-cyano-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 112979583
(Z)-3-[benzyl(methyl)amino]-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839635

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide (CID 108842279) is (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide is CCN(/C=C(/C#N)C(=O)NCc1ccccc1)CCc1ccncc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide?
The InChIKey is RCCWSTOJGCZVGP-MNDPQUGUSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-24(13-10-17-8-11-22-12-9-17)16-19(14-21)20(25)23-15-18-6-4-3-5-7-18/h3-9,11-12,16H,2,10,13,15H2,1H3,(H,23,25)/b19-16-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide is sourced from PubChem (CID 108842279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).