1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide

C18H20N4O2 — CID 110237966

IUPAC1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2c(-c3ccco3)[nH]c3ncccc23)C1
InChIInChI=1S/C18H20N4O2/c19-17(23)12-4-2-8-22(10-12)11-14-13-5-1-7-20-18(13)21-16(14)15-6-3-9-24-15/h1,3,5-7,9,12H,2,4,8,10-11H2,(H2,19,23)(H,20,21)
InChIKeyMGOBOEIMDOXYRQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.52
Rot. Bonds4

About 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide

1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 110237966) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide
PubChem CID110237966
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2c(-c3ccco3)[nH]c3ncccc23)C1
InChIInChI=1S/C18H20N4O2/c19-17(23)12-4-2-8-22(10-12)11-14-13-5-1-7-20-18(13)21-16(14)15-6-3-9-24-15/h1,3,5-7,9,12H,2,4,8,10-11H2,(H2,19,23)(H,20,21)
InChIKeyMGOBOEIMDOXYRQ-UHFFFAOYSA-N
XLogP2.52
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide (CID 110237966) is 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2c(-c3ccco3)[nH]c3ncccc23)C1.
What is the InChIKey of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is MGOBOEIMDOXYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-17(23)12-4-2-8-22(10-12)11-14-13-5-1-7-20-18(13)21-16(14)15-6-3-9-24-15/h1,3,5-7,9,12H,2,4,8,10-11H2,(H2,19,23)(H,20,21).
What are the key properties of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide?
1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110237966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).