N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine

C13H12N4 — CID 158159052

IUPACN-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine
SMILESCc1cccc(NC2=NCc3cccnc32)n1
InChIInChI=1S/C13H12N4/c1-9-4-2-6-11(16-9)17-13-12-10(8-15-13)5-3-7-14-12/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyXMLDOLGIDCCBDF-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.16
Rot. Bonds1

About N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine

N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 158159052) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine
PubChem CID158159052
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine
SMILESCc1cccc(NC2=NCc3cccnc32)n1
InChIInChI=1S/C13H12N4/c1-9-4-2-6-11(16-9)17-13-12-10(8-15-13)5-3-7-14-12/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyXMLDOLGIDCCBDF-UHFFFAOYSA-N
XLogP2.16
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine (CID 158159052) is N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine is Cc1cccc(NC2=NCc3cccnc32)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is XMLDOLGIDCCBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-4-2-6-11(16-9)17-13-12-10(8-15-13)5-3-7-14-12/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine?
N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 224.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 158159052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).