3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile

C15H15N3 — CID 14973216

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile
SMILESCN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C15H15N3/c1-18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-4,8,10,17H,5-7H2,1H3
InChIKeyHNOKHIURIJOQKM-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.76
Rot. Bonds1

About 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile (PubChem CID 14973216) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile
PubChem CID14973216
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile
SMILESCN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C15H15N3/c1-18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-4,8,10,17H,5-7H2,1H3
InChIKeyHNOKHIURIJOQKM-UHFFFAOYSA-N
XLogP2.76
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile (CID 14973216) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile is CN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile?
The InChIKey is HNOKHIURIJOQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-4,8,10,17H,5-7H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 14973216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).