1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one

C14H16N4O2 — CID 72850728

IUPAC1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H16N4O2/c19-13-3-1-2-6-17(13)8-5-14(20)18-7-4-11-12(9-18)16-10-15-11/h1-3,6,10H,4-5,7-9H2,(H,15,16)
InChIKeyVAUAIIFGMZZZCK-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.55
Rot. Bonds3

About 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one

1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one (PubChem CID 72850728) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one
PubChem CID72850728
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H16N4O2/c19-13-3-1-2-6-17(13)8-5-14(20)18-7-4-11-12(9-18)16-10-15-11/h1-3,6,10H,4-5,7-9H2,(H,15,16)
InChIKeyVAUAIIFGMZZZCK-UHFFFAOYSA-N
XLogP0.55
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one?
The IUPAC name of 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one (CID 72850728) is 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one.
What is the SMILES notation for 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one?
The canonical SMILES for 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one?
The InChIKey is VAUAIIFGMZZZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-3-1-2-6-17(13)8-5-14(20)18-7-4-11-12(9-18)16-10-15-11/h1-3,6,10H,4-5,7-9H2,(H,15,16).
What are the key properties of 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one?
1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one is sourced from PubChem (CID 72850728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).