2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

C19H18N4 — CID 134036774

IUPAC2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H18N4/c20-12-15-4-3-9-21-19(15)23-10-7-14(8-11-23)17-13-22-18-6-2-1-5-16(17)18/h1-6,9,13-14,22H,7-8,10-11H2
InChIKeyRCYRUETYLZXFJV-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.82
Rot. Bonds2

About 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 134036774) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID134036774
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H18N4/c20-12-15-4-3-9-21-19(15)23-10-7-14(8-11-23)17-13-22-18-6-2-1-5-16(17)18/h1-6,9,13-14,22H,7-8,10-11H2
InChIKeyRCYRUETYLZXFJV-UHFFFAOYSA-N
XLogP3.82
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 134036774) is 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RCYRUETYLZXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c20-12-15-4-3-9-21-19(15)23-10-7-14(8-11-23)17-13-22-18-6-2-1-5-16(17)18/h1-6,9,13-14,22H,7-8,10-11H2.
What are the key properties of 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134036774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).