(1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide

C15H18N6O — CID 172978650

IUPAC(1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H18N6O/c16-9-13(14(17)18)21-20-12-7-5-10(6-8-12)15(22)19-11-3-1-2-4-11/h5-8,11,20H,1-4H2,(H3,17,18)(H,19,22)/b21-13+
InChIKeyWMBIXMVZCPDIPK-FYJGNVAPSA-N
MW298.35 g/mol
LogP1.59
Rot. Bonds5

About (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172978650) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172978650
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H18N6O/c16-9-13(14(17)18)21-20-12-7-5-10(6-8-12)15(22)19-11-3-1-2-4-11/h5-8,11,20H,1-4H2,(H3,17,18)(H,19,22)/b21-13+
InChIKeyWMBIXMVZCPDIPK-FYJGNVAPSA-N
XLogP1.59
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978883
(1Z)-2-amino-N-[3-(cyclopropanecarbonylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172976419
(1Z)-2-amino-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172978140
(1Z)-2-amino-2-imino-N-(4-piperazin-1-ylanilino)ethanimidoyl cyanide
CID 172976456
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-hydroxybenzoic acid
CID 172931575
2-[4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]benzoic acid
CID 172978666
(1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide
CID 172976307
N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168609092
(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
CID 172931759
(1Z)-2-amino-N-(3-chloro-4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172980240
(1Z)-2-amino-2-imino-N-[3-(2-methylpropylcarbamoyl)anilino]ethanimidoyl cyanide
CID 172976686
(1Z)-2-amino-N-[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979643

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide (CID 172978650) is (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is WMBIXMVZCPDIPK-FYJGNVAPSA-N. The full InChI is InChI=1S/C15H18N6O/c16-9-13(14(17)18)21-20-12-7-5-10(6-8-12)15(22)19-11-3-1-2-4-11/h5-8,11,20H,1-4H2,(H3,17,18)(H,19,22)/b21-13+.
What are the key properties of (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 298.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172978650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).