(Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide

C16H19F2N5O — CID 108864251

IUPAC(Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cc(F)ccc1F)C(=O)NCCN1CCNCC1
InChIInChI=1S/C16H19F2N5O/c17-13-1-2-14(18)15(9-13)22-11-12(10-19)16(24)21-5-8-23-6-3-20-4-7-23/h1-2,9,11,20,22H,3-8H2,(H,21,24)/b12-11-
InChIKeyDKWCBDFJYNHVSK-QXMHVHEDSA-N
MW335.36 g/mol
LogP0.81
Rot. Bonds6

About (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide

(Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 108864251) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
PubChem CID108864251
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name(Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cc(F)ccc1F)C(=O)NCCN1CCNCC1
InChIInChI=1S/C16H19F2N5O/c17-13-1-2-14(18)15(9-13)22-11-12(10-19)16(24)21-5-8-23-6-3-20-4-7-23/h1-2,9,11,20,22H,3-8H2,(H,21,24)/b12-11-
InChIKeyDKWCBDFJYNHVSK-QXMHVHEDSA-N
XLogP0.81
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-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

N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909
2-[(4-anilino-5-cyano-6-oxo-1H-pyridin-3-yl)methylidene]propanedinitrile
CID 1208269
(E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-phenylprop-2-enenitrile
CID 2373103
N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide
CID 17434871
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030119
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-acetamide
CID 14162479
1-(3-Methylbutyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 118714739
N-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 719530
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2451727
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridine-3-carboxamide
CID 24239431
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridine-3-carboxamide
CID 24818046
2-cyano-3-(dimethylamino)-N-phenylacrylamide
CID 2799772

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide (CID 108864251) is (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide is N#C/C(=C/Nc1cc(F)ccc1F)C(=O)NCCN1CCNCC1.
What is the InChIKey of (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is DKWCBDFJYNHVSK-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-13-1-2-14(18)15(9-13)22-11-12(10-19)16(24)21-5-8-23-6-3-20-4-7-23/h1-2,9,11,20,22H,3-8H2,(H,21,24)/b12-11-.
What are the key properties of (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
(Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 335.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,5-difluoroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 108864251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).