1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C13H13N3O — CID 23585245

IUPAC1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2ccncc2)cc2c1CCNC2=O
InChIInChI=1S/C13H13N3O/c1-16-11-4-7-15-13(17)10(11)8-12(16)9-2-5-14-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,15,17)
InChIKeyKYIYLJLPAAZRRT-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.37
Rot. Bonds1

About 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585245) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585245
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2ccncc2)cc2c1CCNC2=O
InChIInChI=1S/C13H13N3O/c1-16-11-4-7-15-13(17)10(11)8-12(16)9-2-5-14-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,15,17)
InChIKeyKYIYLJLPAAZRRT-UHFFFAOYSA-N
XLogP1.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585245) is 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cn1c(-c2ccncc2)cc2c1CCNC2=O.
What is the InChIKey of 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KYIYLJLPAAZRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-16-11-4-7-15-13(17)10(11)8-12(16)9-2-5-14-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,15,17).
What are the key properties of 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 227.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).