N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide

C17H13N3O — CID 60919239

IUPACN-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13N3O/c18-9-12-5-7-13(8-6-12)10-20-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,11,19H,10H2,(H,20,21)
InChIKeyZKJGKLYJJUWWTQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.97
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide

N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 60919239) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
PubChem CID60919239
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13N3O/c18-9-12-5-7-13(8-6-12)10-20-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,11,19H,10H2,(H,20,21)
InChIKeyZKJGKLYJJUWWTQ-UHFFFAOYSA-N
XLogP2.97
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980172
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide
CID 30144291
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide (CID 60919239) is N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide is N#Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is ZKJGKLYJJUWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-9-12-5-7-13(8-6-12)10-20-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,11,19H,10H2,(H,20,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide?
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 60919239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).