(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide

C16H19N3O — CID 108858510

IUPAC(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C(C#N)=C\NC2CCCC2)c1
InChIInChI=1S/C16H19N3O/c1-12-5-4-8-15(9-12)19-16(20)13(10-17)11-18-14-6-2-3-7-14/h4-5,8-9,11,14,18H,2-3,6-7H2,1H3,(H,19,20)/b13-11-
InChIKeyBBELNKAUXKGXKC-QBFSEMIESA-N
MW269.35 g/mol
LogP2.87
Rot. Bonds4

About (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 108858510) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide
PubChem CID108858510
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C(C#N)=C\NC2CCCC2)c1
InChIInChI=1S/C16H19N3O/c1-12-5-4-8-15(9-12)19-16(20)13(10-17)11-18-14-6-2-3-7-14/h4-5,8-9,11,14,18H,2-3,6-7H2,1H3,(H,19,20)/b13-11-
InChIKeyBBELNKAUXKGXKC-QBFSEMIESA-N
XLogP2.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-2-cyano-3-(cyclohexylamino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816837
3-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]benzoic acid
CID 108816303
(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide
CID 108817434
(Z)-2-cyano-3-(cyclopentylamino)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820576
(Z)-3-(4-bromoanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858457
(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849268
(Z)-2-cyano-3-(cycloheptylamino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828602
(Z)-2-cyano-3-(cyclohexylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849184
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858549
(Z)-2-cyano-N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)prop-2-enamide
CID 108858500
(Z)-3-(3-chloro-4-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858474
(Z)-3-(4-bromo-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858758

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide (CID 108858510) is (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide is Cc1cccc(NC(=O)/C(C#N)=C\NC2CCCC2)c1.
What is the InChIKey of (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is BBELNKAUXKGXKC-QBFSEMIESA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-4-8-15(9-12)19-16(20)13(10-17)11-18-14-6-2-3-7-14/h4-5,8-9,11,14,18H,2-3,6-7H2,1H3,(H,19,20)/b13-11-.
What are the key properties of (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 269.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108858510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).