3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile

C21H17N5O — CID 133284765

IUPAC3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1ccc(CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H17N5O/c22-14-18-21(24-11-10-23-18)25-17-7-5-15(6-8-17)13-20(27)26-12-9-16-3-1-2-4-19(16)26/h1-8,10-11H,9,12-13H2,(H,24,25)
InChIKeyJFDHVEQLBPKOHI-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.22
Rot. Bonds4

About 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile

3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile (PubChem CID 133284765) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile
PubChem CID133284765
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1ccc(CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H17N5O/c22-14-18-21(24-11-10-23-18)25-17-7-5-15(6-8-17)13-20(27)26-12-9-16-3-1-2-4-19(16)26/h1-8,10-11H,9,12-13H2,(H,24,25)
InChIKeyJFDHVEQLBPKOHI-UHFFFAOYSA-N
XLogP3.22
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
CID 71968022
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 167754497
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219573
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
2-(1,3-benzoxazol-6-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 110771825
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 127706635
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile (CID 133284765) is 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile is N#Cc1nccnc1Nc1ccc(CC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile?
The InChIKey is JFDHVEQLBPKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-14-18-21(24-11-10-23-18)25-17-7-5-15(6-8-17)13-20(27)26-12-9-16-3-1-2-4-19(16)26/h1-8,10-11H,9,12-13H2,(H,24,25).
What are the key properties of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile?
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).