N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide

C13H17N3O2 — CID 166431220

IUPACN-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1nccc2c1CNC2=O
InChIInChI=1S/C13H17N3O2/c1-7(2)8(3)16-13(18)11-10-6-15-12(17)9(10)4-5-14-11/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNMDOWPFHDIDJRF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.10
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide

N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide (PubChem CID 166431220) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
PubChem CID166431220
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1nccc2c1CNC2=O
InChIInChI=1S/C13H17N3O2/c1-7(2)8(3)16-13(18)11-10-6-15-12(17)9(10)4-5-14-11/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNMDOWPFHDIDJRF-UHFFFAOYSA-N
XLogP1.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide (CID 166431220) is N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide is CC(C)C(C)NC(=O)c1nccc2c1CNC2=O.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?
The InChIKey is NMDOWPFHDIDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7(2)8(3)16-13(18)11-10-6-15-12(17)9(10)4-5-14-11/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide?
N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 166431220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).