1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile

C19H19N5O — CID 155950826

IUPAC1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C(=O)N1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C19H19N5O/c20-14-15-4-5-16-6-8-24(17(16)13-15)19(25)23-11-9-22(10-12-23)18-3-1-2-7-21-18/h1-5,7,13H,6,8-12H2
InChIKeyZJHYODTVBNAOTM-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.26
Rot. Bonds1

About 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile

1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile (PubChem CID 155950826) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile
PubChem CID155950826
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C(=O)N1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C19H19N5O/c20-14-15-4-5-16-6-8-24(17(16)13-15)19(25)23-11-9-22(10-12-23)18-3-1-2-7-21-18/h1-5,7,13H,6,8-12H2
InChIKeyZJHYODTVBNAOTM-UHFFFAOYSA-N
XLogP2.26
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CID 63087366
N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950946
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172891744
3-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109353175
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263
3-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216243
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261707
N-(4-cyanophenyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113181086
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
3-cyano-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 95100216
3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191911

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
The IUPAC name of 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile (CID 155950826) is 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile is N#Cc1ccc2c(c1)N(C(=O)N1CCN(c3ccccn3)CC1)CC2.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
The InChIKey is ZJHYODTVBNAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-14-15-4-5-16-6-8-24(17(16)13-15)19(25)23-11-9-22(10-12-23)18-3-1-2-7-21-18/h1-5,7,13H,6,8-12H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindole-6-carbonitrile is sourced from PubChem (CID 155950826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).