N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide

C19H16N4O — CID 5414915

IUPACN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)N/N=C\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H16N4O/c20-11-10-19(24)22-21-12-16-14-23(13-15-6-2-1-3-7-15)18-9-5-4-8-17(16)18/h1-9,12,14H,10,13H2,(H,22,24)/b21-12-
InChIKeyYSEDZTFNZFSJGO-MTJSOVHGSA-N
MW316.36 g/mol
LogP3.05
Rot. Bonds5

About N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide

N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide (PubChem CID 5414915) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
PubChem CID5414915
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)N/N=C\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H16N4O/c20-11-10-19(24)22-21-12-16-14-23(13-15-6-2-1-3-7-15)18-9-5-4-8-17(16)18/h1-9,12,14H,10,13H2,(H,22,24)/b21-12-
InChIKeyYSEDZTFNZFSJGO-MTJSOVHGSA-N
XLogP3.05
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.05
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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Related Compounds

2-cyano-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5424462
2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 962771
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide
CID 23476926
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 19190815
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 5458107
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126376770
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 19173356

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide (CID 5414915) is N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide is N#CCC(=O)N/N=C\c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide?
The InChIKey is YSEDZTFNZFSJGO-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H16N4O/c20-11-10-19(24)22-21-12-16-14-23(13-15-6-2-1-3-7-15)18-9-5-4-8-17(16)18/h1-9,12,14H,10,13H2,(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide?
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide has a molecular weight of 316.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 5414915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).