2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine

C13H12N4 — CID 166338323

IUPAC2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
SMILESCc1ncc(-c2c[nH]c3ncccc23)cc1N
InChIInChI=1S/C13H12N4/c1-8-12(14)5-9(6-16-8)11-7-17-13-10(11)3-2-4-15-13/h2-7H,14H2,1H3,(H,15,17)
InChIKeyOIPBQZCLIUIFDE-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.52
Rot. Bonds1

About 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine (PubChem CID 166338323) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
PubChem CID166338323
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
SMILESCc1ncc(-c2c[nH]c3ncccc23)cc1N
InChIInChI=1S/C13H12N4/c1-8-12(14)5-9(6-16-8)11-7-17-13-10(11)3-2-4-15-13/h2-7H,14H2,1H3,(H,15,17)
InChIKeyOIPBQZCLIUIFDE-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine (CID 166338323) is 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine is Cc1ncc(-c2c[nH]c3ncccc23)cc1N.
What is the InChIKey of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
The InChIKey is OIPBQZCLIUIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-12(14)5-9(6-16-8)11-7-17-13-10(11)3-2-4-15-13/h2-7H,14H2,1H3,(H,15,17).
What are the key properties of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine is sourced from PubChem (CID 166338323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).