2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide

C23H18N4O — CID 6883466

IUPAC2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C23H18N4O/c24-13-12-23(28)26-25-14-19-16-27(22-11-4-3-10-21(19)22)15-18-8-5-7-17-6-1-2-9-20(17)18/h1-11,14,16H,12,15H2,(H,26,28)/b25-14+
InChIKeyCJOHNSDSNUTGKR-AFUMVMLFSA-N
MW366.42 g/mol
LogP4.21
Rot. Bonds5

About 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide

2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide (PubChem CID 6883466) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
PubChem CID6883466
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C23H18N4O/c24-13-12-23(28)26-25-14-19-16-27(22-11-4-3-10-21(19)22)15-18-8-5-7-17-6-1-2-9-20(17)18/h1-11,14,16H,12,15H2,(H,26,28)/b25-14+
InChIKeyCJOHNSDSNUTGKR-AFUMVMLFSA-N
XLogP4.21
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide (CID 6883466) is 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide is N#CCC(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide?
The InChIKey is CJOHNSDSNUTGKR-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H18N4O/c24-13-12-23(28)26-25-14-19-16-27(22-11-4-3-10-21(19)22)15-18-8-5-7-17-6-1-2-9-20(17)18/h1-11,14,16H,12,15H2,(H,26,28)/b25-14+.
What are the key properties of 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide?
2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide has a molecular weight of 366.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 6883466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).