6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile

C20H19N3O2 — CID 178117203

IUPAC6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cn(C3CCOCC3)c3cc(CO)ccc23)n1
InChIInChI=1S/C20H19N3O2/c21-11-15-2-1-3-19(22-15)18-12-23(16-6-8-25-9-7-16)20-10-14(13-24)4-5-17(18)20/h1-5,10,12,16,24H,6-9,13H2
InChIKeyVAHHXZJFOMQAME-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.42
Rot. Bonds3

About 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile

6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile (PubChem CID 178117203) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile
PubChem CID178117203
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cn(C3CCOCC3)c3cc(CO)ccc23)n1
InChIInChI=1S/C20H19N3O2/c21-11-15-2-1-3-19(22-15)18-12-23(16-6-8-25-9-7-16)20-10-14(13-24)4-5-17(18)20/h1-5,10,12,16,24H,6-9,13H2
InChIKeyVAHHXZJFOMQAME-UHFFFAOYSA-N
XLogP3.42
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile (CID 178117203) is 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile is N#Cc1cccc(-c2cn(C3CCOCC3)c3cc(CO)ccc23)n1.
What is the InChIKey of 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile?
The InChIKey is VAHHXZJFOMQAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-11-15-2-1-3-19(22-15)18-12-23(16-6-8-25-9-7-16)20-10-14(13-24)4-5-17(18)20/h1-5,10,12,16,24H,6-9,13H2.
What are the key properties of 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile?
6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(hydroxymethyl)-1-(oxan-4-yl)indol-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 178117203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).