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

C20H16N4O — CID 108818132

IUPAC(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc2ccccc2c1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C20H16N4O/c21-12-16(20(25)24-18-9-6-17(22)7-10-18)13-23-19-8-5-14-3-1-2-4-15(14)11-19/h1-11,13,23H,22H2,(H,24,25)/b16-13-
InChIKeyZACMFNVBTINWEO-SSZFMOIBSA-N
MW328.38 g/mol
LogP3.88
Rot. Bonds4

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

(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide (PubChem CID 108818132) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
PubChem CID108818132
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc2ccccc2c1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C20H16N4O/c21-12-16(20(25)24-18-9-6-17(22)7-10-18)13-23-19-8-5-14-3-1-2-4-15(14)11-19/h1-11,13,23H,22H2,(H,24,25)/b16-13-
InChIKeyZACMFNVBTINWEO-SSZFMOIBSA-N
XLogP3.88
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', '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'}

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Related Compounds

(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108821488
(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylsulfanylanilino)prop-2-enamide
CID 108818057
3-[[(Z)-3-(4-aminoanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzenesulfonic acid
CID 108817923
(Z)-N-(4-aminophenyl)-3-(4-bromo-3-methylanilino)-2-cyanoprop-2-enamide
CID 108818217
4-[[(Z)-3-(4-aminoanilino)-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819038
(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835248
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108827826
(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
(Z)-N-(4-aminophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108818080
(Z)-N-(4-aminophenyl)-2-cyano-3-[(3-methoxyphenyl)methylamino]prop-2-enamide
CID 108818245
6-[[(Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enoyl]amino]hexanoic acid
CID 108845258

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide (CID 108818132) is (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide is N#C/C(=C/Nc1ccc2ccccc2c1)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide?
The InChIKey is ZACMFNVBTINWEO-SSZFMOIBSA-N. The full InChI is InChI=1S/C20H16N4O/c21-12-16(20(25)24-18-9-6-17(22)7-10-18)13-23-19-8-5-14-3-1-2-4-15(14)11-19/h1-11,13,23H,22H2,(H,24,25)/b16-13-.
What are the key properties of (Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide?
(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide has a molecular weight of 328.38 g/mol, XLogP of 3.88, 4 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-(naphthalen-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108818132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).