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

C16H19N3O — CID 11716463

IUPAC7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC1(CC)CNC(=O)c2cc(-c3ccncc3)[nH]c21
InChIInChI=1S/C16H19N3O/c1-3-16(4-2)10-18-15(20)12-9-13(19-14(12)16)11-5-7-17-8-6-11/h5-9,19H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyZUQDRSCXIAILRW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.88
Rot. Bonds3

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

7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 11716463) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID11716463
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC1(CC)CNC(=O)c2cc(-c3ccncc3)[nH]c21
InChIInChI=1S/C16H19N3O/c1-3-16(4-2)10-18-15(20)12-9-13(19-14(12)16)11-5-7-17-8-6-11/h5-9,19H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyZUQDRSCXIAILRW-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 11716463) is 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CCC1(CC)CNC(=O)c2cc(-c3ccncc3)[nH]c21.
What is the InChIKey of 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZUQDRSCXIAILRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-16(4-2)10-18-15(20)12-9-13(19-14(12)16)11-5-7-17-8-6-11/h5-9,19H,3-4,10H2,1-2H3,(H,18,20).
What are the key properties of 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 269.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11716463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).