N-(2-cyanophenyl)-1H-indole-5-carboxamide

C16H11N3O — CID 63770547

IUPACN-(2-cyanophenyl)-1H-indole-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H11N3O/c17-10-13-3-1-2-4-15(13)19-16(20)12-5-6-14-11(9-12)7-8-18-14/h1-9,18H,(H,19,20)
InChIKeyBQPWPPVVJOIESZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.29
Rot. Bonds2

About N-(2-cyanophenyl)-1H-indole-5-carboxamide

N-(2-cyanophenyl)-1H-indole-5-carboxamide (PubChem CID 63770547) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1H-indole-5-carboxamide
PubChem CID63770547
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC NameN-(2-cyanophenyl)-1H-indole-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H11N3O/c17-10-13-3-1-2-4-15(13)19-16(20)12-5-6-14-11(9-12)7-8-18-14/h1-9,18H,(H,19,20)
InChIKeyBQPWPPVVJOIESZ-UHFFFAOYSA-N
XLogP3.29
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propylphenyl)-1H-indole-5-carboxamide
CID 63717145
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
N-[2-(hydroxymethyl)phenyl]-1H-indole-6-carboxamide
CID 63748080
N-(5-phenyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
CID 146085335
4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid
CID 139632495
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765482
N-(2-hydroxy-4-methylphenyl)-1H-indole-5-carboxamide
CID 63716979
N-(4-fluoro-2-iodophenyl)-1H-indole-5-carboxamide
CID 79766806
N-(2-chloro-4-hydroxyphenyl)-1H-indole-5-carboxamide
CID 64786778

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1H-indole-5-carboxamide (CID 63770547) is N-(2-cyanophenyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1H-indole-5-carboxamide is N#Cc1ccccc1NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(2-cyanophenyl)-1H-indole-5-carboxamide?
The InChIKey is BQPWPPVVJOIESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-10-13-3-1-2-4-15(13)19-16(20)12-5-6-14-11(9-12)7-8-18-14/h1-9,18H,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-1H-indole-5-carboxamide?
N-(2-cyanophenyl)-1H-indole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63770547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).