5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile

C21H24N4 — CID 22037916

IUPAC5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CCN2CCC(N3CCc4ccccc43)CC2)cn1
InChIInChI=1S/C21H24N4/c22-15-19-6-5-17(16-23-19)7-11-24-12-9-20(10-13-24)25-14-8-18-3-1-2-4-21(18)25/h1-6,16,20H,7-14H2
InChIKeyVEUNMHXFRHENJJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.02
Rot. Bonds4

About 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile

5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile (PubChem CID 22037916) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
PubChem CID22037916
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CCN2CCC(N3CCc4ccccc43)CC2)cn1
InChIInChI=1S/C21H24N4/c22-15-19-6-5-17(16-23-19)7-11-24-12-9-20(10-13-24)25-14-8-18-3-1-2-4-21(18)25/h1-6,16,20H,7-14H2
InChIKeyVEUNMHXFRHENJJ-UHFFFAOYSA-N
XLogP3.02
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile (CID 22037916) is 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile is N#Cc1ccc(CCN2CCC(N3CCc4ccccc43)CC2)cn1.
What is the InChIKey of 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile?
The InChIKey is VEUNMHXFRHENJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c22-15-19-6-5-17(16-23-19)7-11-24-12-9-20(10-13-24)25-14-8-18-3-1-2-4-21(18)25/h1-6,16,20H,7-14H2.
What are the key properties of 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile?
5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile has a molecular weight of 332.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 22037916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).