(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide

C15H18ClN5O — CID 108859451

IUPAC(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCN1CCN(/C=C(/C#N)C(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H18ClN5O/c1-20-4-6-21(7-5-20)10-11(9-17)15(22)19-14-3-2-12(18)8-13(14)16/h2-3,8,10H,4-7,18H2,1H3,(H,19,22)/b11-10-
InChIKeyMEJFRBNTPQLZLL-KHPPLWFESA-N
MW319.80 g/mol
LogP1.52
Rot. Bonds3

About (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide

(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide (PubChem CID 108859451) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide
PubChem CID108859451
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCN1CCN(/C=C(/C#N)C(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H18ClN5O/c1-20-4-6-21(7-5-20)10-11(9-17)15(22)19-14-3-2-12(18)8-13(14)16/h2-3,8,10H,4-7,18H2,1H3,(H,19,22)/b11-10-
InChIKeyMEJFRBNTPQLZLL-KHPPLWFESA-N
XLogP1.52
TPSA85.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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)-N-(4-amino-2-chlorophenyl)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enamide
CID 108859803
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-[4-(4-methylpiperazin-1-yl)anilino]prop-2-enamide
CID 108859625
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(ethylamino)prop-2-enamide
CID 108859513
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(2-methylanilino)prop-2-enamide
CID 108859233
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-enamide
CID 108824419
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylanilino)prop-2-enamide
CID 108859211
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
CID 108828864
(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 108856716
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 108825604
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108823632
(Z)-2-cyano-N-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 98348176
ethyl 4-[(Z)-2-cyano-3-(2,5-dichloroanilino)-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108825682

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide (CID 108859451) is (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide is CN1CCN(/C=C(/C#N)C(=O)Nc2ccc(N)cc2Cl)CC1.
What is the InChIKey of (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide?
The InChIKey is MEJFRBNTPQLZLL-KHPPLWFESA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-20-4-6-21(7-5-20)10-11(9-17)15(22)19-14-3-2-12(18)8-13(14)16/h2-3,8,10H,4-7,18H2,1H3,(H,19,22)/b11-10-.
What are the key properties of (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide?
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide has a molecular weight of 319.80 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 108859451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).