4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide

C14H17N4O2+ — CID 91578670

IUPAC4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide
SMILESCC1=c2ncccc2=[N+](C2CCN(C(N)=O)CC2)C1=O
InChIInChI=1S/C14H16N4O2/c1-9-12-11(3-2-6-16-12)18(13(9)19)10-4-7-17(8-5-10)14(15)20/h2-3,6,10H,4-5,7-8H2,1H3,(H-,15,20)/p+1
InChIKeyHDAZTGNTOLDPPM-UHFFFAOYSA-O
MW273.32 g/mol
LogP-1.17
Rot. Bonds1

About 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide

4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide (PubChem CID 91578670) has the molecular formula C14H17N4O2+ and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide
PubChem CID91578670
Molecular FormulaC14H17N4O2+
Molecular Weight273.32 g/mol
Exact Mass273.13
IUPAC Name4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide
SMILESCC1=c2ncccc2=[N+](C2CCN(C(N)=O)CC2)C1=O
InChIInChI=1S/C14H16N4O2/c1-9-12-11(3-2-6-16-12)18(13(9)19)10-4-7-17(8-5-10)14(15)20/h2-3,6,10H,4-5,7-8H2,1H3,(H-,15,20)/p+1
InChIKeyHDAZTGNTOLDPPM-UHFFFAOYSA-O
XLogP-1.17
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide (CID 91578670) is 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide is CC1=c2ncccc2=[N+](C2CCN(C(N)=O)CC2)C1=O.
What is the InChIKey of 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide?
The InChIKey is HDAZTGNTOLDPPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N4O2/c1-9-12-11(3-2-6-16-12)18(13(9)19)10-4-7-17(8-5-10)14(15)20/h2-3,6,10H,4-5,7-8H2,1H3,(H-,15,20)/p+1.
What are the key properties of 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide?
4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide has a molecular weight of 273.32 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91578670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).