(1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide

C15H13N7O — CID 172977946

IUPAC(1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)Nc1ccccn1
InChIInChI=1S/C15H13N7O/c16-9-12(14(17)18)22-21-11-6-2-1-5-10(11)15(23)20-13-7-3-4-8-19-13/h1-8,21H,(H3,17,18)(H,19,20,23)/b22-12+
InChIKeyIEPUPBDERZOBFW-WSDLNYQXSA-N
MW307.32 g/mol
LogP1.56
Rot. Bonds5

About (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide (PubChem CID 172977946) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide
PubChem CID172977946
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name(1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)Nc1ccccn1
InChIInChI=1S/C15H13N7O/c16-9-12(14(17)18)22-21-11-6-2-1-5-10(11)15(23)20-13-7-3-4-8-19-13/h1-8,21H,(H3,17,18)(H,19,20,23)/b22-12+
InChIKeyIEPUPBDERZOBFW-WSDLNYQXSA-N
XLogP1.56
TPSA140.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[(2,6-dimethylphenyl)carbamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172976713
(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978883
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
benzyl 2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]benzoate
CID 172979250
(1Z)-N-(3-acetyl-2-hydroxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172980128
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide
CID 172976716
(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide
CID 172978763
(1Z)-2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172977953
methyl 3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-phenylbenzoate
CID 172979293
ethyl 4-[2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]benzoyl]piperazine-1-carboxylate
CID 172977826
(1Z)-2-amino-N-[(8-chloroquinolin-5-yl)amino]-2-iminoethanimidoyl cyanide
CID 172976919

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide (CID 172977946) is (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)Nc1ccccn1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide?
The InChIKey is IEPUPBDERZOBFW-WSDLNYQXSA-N. The full InChI is InChI=1S/C15H13N7O/c16-9-12(14(17)18)22-21-11-6-2-1-5-10(11)15(23)20-13-7-3-4-8-19-13/h1-8,21H,(H3,17,18)(H,19,20,23)/b22-12+.
What are the key properties of (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide has a molecular weight of 307.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172977946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).