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

C13H13N3O — CID 11514482

IUPAC3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1c(-c2ccncc2)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C13H13N3O/c1-8-11-10(4-7-15-13(11)17)16-12(8)9-2-5-14-6-3-9/h2-3,5-6,16H,4,7H2,1H3,(H,15,17)
InChIKeyBLZYBJCDAZKHMX-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.67
Rot. Bonds1

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

3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11514482) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11514482
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1c(-c2ccncc2)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C13H13N3O/c1-8-11-10(4-7-15-13(11)17)16-12(8)9-2-5-14-6-3-9/h2-3,5-6,16H,4,7H2,1H3,(H,15,17)
InChIKeyBLZYBJCDAZKHMX-UHFFFAOYSA-N
XLogP1.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11514482) is 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Cc1c(-c2ccncc2)[nH]c2c1C(=O)NCC2.
What is the InChIKey of 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BLZYBJCDAZKHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-11-10(4-7-15-13(11)17)16-12(8)9-2-5-14-6-3-9/h2-3,5-6,16H,4,7H2,1H3,(H,15,17).
What are the key properties of 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 227.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11514482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).