1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile

C14H15N3 — CID 66734531

IUPAC1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCc1cnc2c(C#N)cn(C3CCCC3)c2c1
InChIInChI=1S/C14H15N3/c1-10-6-13-14(16-8-10)11(7-15)9-17(13)12-4-2-3-5-12/h6,8-9,12H,2-5H2,1H3
InChIKeyGEISZNWTOMWERO-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.33
Rot. Bonds1

About 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile

1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile (PubChem CID 66734531) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
PubChem CID66734531
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCc1cnc2c(C#N)cn(C3CCCC3)c2c1
InChIInChI=1S/C14H15N3/c1-10-6-13-14(16-8-10)11(7-15)9-17(13)12-4-2-3-5-12/h6,8-9,12H,2-5H2,1H3
InChIKeyGEISZNWTOMWERO-UHFFFAOYSA-N
XLogP3.33
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile (CID 66734531) is 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile is Cc1cnc2c(C#N)cn(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
The InChIKey is GEISZNWTOMWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-6-13-14(16-8-10)11(7-15)9-17(13)12-4-2-3-5-12/h6,8-9,12H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile has a molecular weight of 225.30 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 66734531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).