5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C20H18N4O2 — CID 154698365

IUPAC5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)n1cc(-c2cncc(-c3cnc4c(c3)CC(=O)N4)c2)ccc1=O
InChIInChI=1S/C20H18N4O2/c1-12(2)24-11-13(3-4-19(24)26)15-6-16(9-21-8-15)17-5-14-7-18(25)23-20(14)22-10-17/h3-6,8-12H,7H2,1-2H3,(H,22,23,25)
InChIKeyUUIUTLRYJSBUJF-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.05
Rot. Bonds3

About 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 154698365) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID154698365
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)n1cc(-c2cncc(-c3cnc4c(c3)CC(=O)N4)c2)ccc1=O
InChIInChI=1S/C20H18N4O2/c1-12(2)24-11-13(3-4-19(24)26)15-6-16(9-21-8-15)17-5-14-7-18(25)23-20(14)22-10-17/h3-6,8-12H,7H2,1-2H3,(H,22,23,25)
InChIKeyUUIUTLRYJSBUJF-UHFFFAOYSA-N
XLogP3.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 154698365) is 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CC(C)n1cc(-c2cncc(-c3cnc4c(c3)CC(=O)N4)c2)ccc1=O.
What is the InChIKey of 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is UUIUTLRYJSBUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12(2)24-11-13(3-4-19(24)26)15-6-16(9-21-8-15)17-5-14-7-18(25)23-20(14)22-10-17/h3-6,8-12H,7H2,1-2H3,(H,22,23,25).
What are the key properties of 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 154698365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).