N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide

C20H18N4O — CID 126025553

IUPACN-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1c(C)n(Cc2ccccc2C#N)c2ccccc12
InChIInChI=1S/C20H18N4O/c1-14-19(12-22-23-15(2)25)18-9-5-6-10-20(18)24(14)13-17-8-4-3-7-16(17)11-21/h3-10,12H,13H2,1-2H3,(H,23,25)/b22-12-
InChIKeyZRICSIHRPNOCJV-UUYOSTAYSA-N
MW330.39 g/mol
LogP3.34
Rot. Bonds4

About N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide

N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide (PubChem CID 126025553) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide
PubChem CID126025553
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1c(C)n(Cc2ccccc2C#N)c2ccccc12
InChIInChI=1S/C20H18N4O/c1-14-19(12-22-23-15(2)25)18-9-5-6-10-20(18)24(14)13-17-8-4-3-7-16(17)11-21/h3-10,12H,13H2,1-2H3,(H,23,25)/b22-12-
InChIKeyZRICSIHRPNOCJV-UUYOSTAYSA-N
XLogP3.34
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.34
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

N-[[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4007651
3-chloro-N-[1-[2-[[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4554644
2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile
CID 29148524
N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126015839
2-[[3-[2-cyano-2-(2-fluorophenyl)ethenyl]-2-methylindol-1-yl]methyl]benzonitrile
CID 3571637
2-[[2-methyl-3-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile
CID 126203050
N-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 1257534
N-[(Z)-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 5498036
N-[(E)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-phenylpropanamide
CID 25251479
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 29148711

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide (CID 126025553) is N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide is CC(=O)N/N=C\c1c(C)n(Cc2ccccc2C#N)c2ccccc12.
What is the InChIKey of N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide?
The InChIKey is ZRICSIHRPNOCJV-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-19(12-22-23-15(2)25)18-9-5-6-10-20(18)24(14)13-17-8-4-3-7-16(17)11-21/h3-10,12H,13H2,1-2H3,(H,23,25)/b22-12-.
What are the key properties of N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide?
N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide has a molecular weight of 330.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 126025553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).