7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide

C16H17N3O — CID 166476068

IUPAC7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cccc(C#N)c2[nH]1)C1CCCC1
InChIInChI=1S/C16H17N3O/c1-19(13-7-2-3-8-13)16(20)14-9-11-5-4-6-12(10-17)15(11)18-14/h4-6,9,13,18H,2-3,7-8H2,1H3
InChIKeyNSWLXLATNUTCAJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.05
Rot. Bonds2

About 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide

7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide (PubChem CID 166476068) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide
PubChem CID166476068
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cccc(C#N)c2[nH]1)C1CCCC1
InChIInChI=1S/C16H17N3O/c1-19(13-7-2-3-8-13)16(20)14-9-11-5-4-6-12(10-17)15(11)18-14/h4-6,9,13,18H,2-3,7-8H2,1H3
InChIKeyNSWLXLATNUTCAJ-UHFFFAOYSA-N
XLogP3.05
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyanophenyl)-N-cyclopentyl-N-methylbenzamide
CID 51268476
7-amino-N-cyclopentyl-N-ethyl-1H-indole-2-carboxamide
CID 62057898
7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
CID 110852912
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 166475980
N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 43611577
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
CID 129191371
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469

Frequently Asked Questions

What is the IUPAC name of 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide (CID 166476068) is 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2cccc(C#N)c2[nH]1)C1CCCC1.
What is the InChIKey of 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide?
The InChIKey is NSWLXLATNUTCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(13-7-2-3-8-13)16(20)14-9-11-5-4-6-12(10-17)15(11)18-14/h4-6,9,13,18H,2-3,7-8H2,1H3.
What are the key properties of 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide?
7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166476068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).