(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide

C16H21N7O2 — CID 172976716

IUPAC(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H21N7O2/c17-11-14(15(18)19)22-21-13-4-2-1-3-12(13)16(24)20-5-6-23-7-9-25-10-8-23/h1-4,21H,5-10H2,(H3,18,19)(H,20,24)/b22-14+
InChIKeyYURFFZWPRPORHC-HYARGMPZSA-N
MW343.39 g/mol
LogP-0.02
Rot. Bonds7

About (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide (PubChem CID 172976716) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide
PubChem CID172976716
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H21N7O2/c17-11-14(15(18)19)22-21-13-4-2-1-3-12(13)16(24)20-5-6-23-7-9-25-10-8-23/h1-4,21H,5-10H2,(H3,18,19)(H,20,24)/b22-14+
InChIKeyYURFFZWPRPORHC-HYARGMPZSA-N
XLogP-0.02
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide (CID 172976716) is (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)NCCN1CCOCC1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide?
The InChIKey is YURFFZWPRPORHC-HYARGMPZSA-N. The full InChI is InChI=1S/C16H21N7O2/c17-11-14(15(18)19)22-21-13-4-2-1-3-12(13)16(24)20-5-6-23-7-9-25-10-8-23/h1-4,21H,5-10H2,(H3,18,19)(H,20,24)/b22-14+.
What are the key properties of (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide has a molecular weight of 343.39 g/mol, XLogP of -0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172976716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).