6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile

C16H15N3 — CID 82119162

IUPAC6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc3c(c2)CCC3)ccc1C#N
InChIInChI=1S/C16H15N3/c1-18-16-14(10-17)7-8-15(19-16)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4H2,1H3,(H,18,19)
InChIKeyKZTVNLOWPBRYRO-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.15
Rot. Bonds2

About 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile

6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 82119162) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID82119162
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc3c(c2)CCC3)ccc1C#N
InChIInChI=1S/C16H15N3/c1-18-16-14(10-17)7-8-15(19-16)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4H2,1H3,(H,18,19)
InChIKeyKZTVNLOWPBRYRO-UHFFFAOYSA-N
XLogP3.15
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile (CID 82119162) is 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(-c2ccc3c(c2)CCC3)ccc1C#N.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is KZTVNLOWPBRYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-18-16-14(10-17)7-8-15(19-16)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4H2,1H3,(H,18,19).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile?
6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82119162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).