2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid

C18H15N3O2 — CID 51352998

IUPAC2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid
SMILESCC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)ccn3)ccc21
InChIInChI=1S/C18H15N3O2/c1-11(2)21-10-14(9-19)15-7-12(3-4-17(15)21)16-8-13(18(22)23)5-6-20-16/h3-8,10-11H,1-2H3,(H,22,23)
InChIKeyRYVMILFDVUDFME-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.85
Rot. Bonds3

About 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid

2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid (PubChem CID 51352998) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid
PubChem CID51352998
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid
SMILESCC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)ccn3)ccc21
InChIInChI=1S/C18H15N3O2/c1-11(2)21-10-14(9-19)15-7-12(3-4-17(15)21)16-8-13(18(22)23)5-6-20-16/h3-8,10-11H,1-2H3,(H,22,23)
InChIKeyRYVMILFDVUDFME-UHFFFAOYSA-N
XLogP3.85
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid (CID 51352998) is 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid is CC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)ccn3)ccc21.
What is the InChIKey of 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid?
The InChIKey is RYVMILFDVUDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11(2)21-10-14(9-19)15-7-12(3-4-17(15)21)16-8-13(18(22)23)5-6-20-16/h3-8,10-11H,1-2H3,(H,22,23).
What are the key properties of 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid?
2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1-propan-2-ylindol-5-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 51352998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).