2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide

C22H22N4O2 — CID 67774452

IUPAC2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
SMILESN#Cc1ccc2c(c1)N(C(CC1CCCC1)C(=O)Nc1ccccn1)C(=O)C2
InChIInChI=1S/C22H22N4O2/c23-14-16-8-9-17-13-21(27)26(18(17)12-16)19(11-15-5-1-2-6-15)22(28)25-20-7-3-4-10-24-20/h3-4,7-10,12,15,19H,1-2,5-6,11,13H2,(H,24,25,28)
InChIKeyXNFLYEHNYBKDBQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.43
Rot. Bonds5

About 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide

2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide (PubChem CID 67774452) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
PubChem CID67774452
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
SMILESN#Cc1ccc2c(c1)N(C(CC1CCCC1)C(=O)Nc1ccccn1)C(=O)C2
InChIInChI=1S/C22H22N4O2/c23-14-16-8-9-17-13-21(27)26(18(17)12-16)19(11-15-5-1-2-6-15)22(28)25-20-7-3-4-10-24-20/h3-4,7-10,12,15,19H,1-2,5-6,11,13H2,(H,24,25,28)
InChIKeyXNFLYEHNYBKDBQ-UHFFFAOYSA-N
XLogP3.43
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-(6-methyl-2-oxo-3H-indol-1-yl)-N-pyridin-2-ylpropanamide
CID 67774103
(2S)-3-cyclohexyl-2-[4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 67483704
(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 10224339
(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide
CID 24745493
(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 91254966
(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide
CID 67484164
2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
CID 67773813
2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide
CID 141079378
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
CID 174341375
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
CID 46651712
1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51124507

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide (CID 67774452) is 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide is N#Cc1ccc2c(c1)N(C(CC1CCCC1)C(=O)Nc1ccccn1)C(=O)C2.
What is the InChIKey of 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
The InChIKey is XNFLYEHNYBKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-14-16-8-9-17-13-21(27)26(18(17)12-16)19(11-15-5-1-2-6-15)22(28)25-20-7-3-4-10-24-20/h3-4,7-10,12,15,19H,1-2,5-6,11,13H2,(H,24,25,28).
What are the key properties of 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 67774452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).