(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide

C11H12N6O — CID 172931881

IUPAC(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1NC(C)=O
InChIInChI=1S/C11H12N6O/c1-7(18)15-8-4-2-3-5-9(8)16-17-10(6-12)11(13)14/h2-5,16H,1H3,(H3,13,14)(H,15,18)/b17-10+
InChIKeyMFNUSVVCAISTOM-LICLKQGHSA-N
MW244.26 g/mol
LogP0.87
Rot. Bonds4

About (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide

(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide (PubChem CID 172931881) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
PubChem CID172931881
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1NC(C)=O
InChIInChI=1S/C11H12N6O/c1-7(18)15-8-4-2-3-5-9(8)16-17-10(6-12)11(13)14/h2-5,16H,1H3,(H3,13,14)(H,15,18)/b17-10+
InChIKeyMFNUSVVCAISTOM-LICLKQGHSA-N
XLogP0.87
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.87
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)-N-(2-acetamido-5-chloroanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172976589
(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide
CID 172978763
(1Z)-N-(3-acetyl-2-hydroxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172980128
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-N-(2-acetamido-5-ethoxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172976247
(1Z)-2-amino-N-[2-[(2,6-dimethylphenyl)carbamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172976713
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872
(1Z)-2-amino-N-(3-bromo-2-methylanilino)-2-iminoethanimidoyl cyanide
CID 172980433
(1Z)-2-amino-2-imino-N-(2-propylsulfanylanilino)ethanimidoyl cyanide
CID 172977189
2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-6-fluorobenzoic acid
CID 172980449

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide (CID 172931881) is (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1NC(C)=O.
What is the InChIKey of (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide?
The InChIKey is MFNUSVVCAISTOM-LICLKQGHSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7(18)15-8-4-2-3-5-9(8)16-17-10(6-12)11(13)14/h2-5,16H,1H3,(H3,13,14)(H,15,18)/b17-10+.
What are the key properties of (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide?
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide has a molecular weight of 244.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172931881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).