(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide

C13H16N4O — CID 108817925

IUPAC(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide
SMILESCCCN/C=C(/C#N)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H16N4O/c1-2-7-16-9-10(8-14)13(18)17-12-5-3-11(15)4-6-12/h3-6,9,16H,2,7,15H2,1H3,(H,17,18)/b10-9-
InChIKeyAQCDLJYEBIGSGA-KTKRTIGZSA-N
MW244.30 g/mol
LogP1.61
Rot. Bonds5

About (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide

(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide (PubChem CID 108817925) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide
PubChem CID108817925
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide
SMILESCCCN/C=C(/C#N)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H16N4O/c1-2-7-16-9-10(8-14)13(18)17-12-5-3-11(15)4-6-12/h3-6,9,16H,2,7,15H2,1H3,(H,17,18)/b10-9-
InChIKeyAQCDLJYEBIGSGA-KTKRTIGZSA-N
XLogP1.61
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide with MolForge

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Related Compounds

ethyl 2-[[(Z)-3-(4-aminoanilino)-2-cyano-3-oxoprop-1-enyl]amino]acetate
CID 108818236
(Z)-N-(4-aminophenyl)-2-cyano-3-[2-(4-hydroxyphenyl)ethylamino]prop-2-enamide
CID 108817949
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(pentylamino)prop-2-enamide
CID 108818603
(Z)-N-(4-acetylphenyl)-3-(butylamino)-2-cyanoprop-2-enamide
CID 108856267
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(Z)-N-(4-aminophenyl)-3-[(4-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108817977
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(3-hydroxypropylamino)prop-2-enamide
CID 108818647
(Z)-2-cyano-3-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820821
4-[[(Z)-3-[(4-aminobenzoyl)amino]-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823379
4-amino-N-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]benzamide
CID 108820768
(Z)-N-(4-aminophenyl)-2-cyano-3-[(3-methoxyphenyl)methylamino]prop-2-enamide
CID 108818245
(Z)-3-(2-chloroethylamino)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 108828456

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide (CID 108817925) is (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide is CCCN/C=C(/C#N)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide?
The InChIKey is AQCDLJYEBIGSGA-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-7-16-9-10(8-14)13(18)17-12-5-3-11(15)4-6-12/h3-6,9,16H,2,7,15H2,1H3,(H,17,18)/b10-9-.
What are the key properties of (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide?
(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide has a molecular weight of 244.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide is sourced from PubChem (CID 108817925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).