4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

C20H23N5O3 — CID 91797048

IUPAC4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1)N1CCCC1=O
InChIInChI=1S/C20H23N5O3/c1-12(25-9-2-3-17(25)26)20(28)24-10-8-15-16(11-24)23-19(22-15)14-6-4-13(5-7-14)18(21)27/h4-7,12H,2-3,8-11H2,1H3,(H2,21,27)(H,22,23)
InChIKeyIIWXPGLHVHTZIR-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.07
Rot. Bonds4

About 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 91797048) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID91797048
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1)N1CCCC1=O
InChIInChI=1S/C20H23N5O3/c1-12(25-9-2-3-17(25)26)20(28)24-10-8-15-16(11-24)23-19(22-15)14-6-4-13(5-7-14)18(21)27/h4-7,12H,2-3,8-11H2,1H3,(H2,21,27)(H,22,23)
InChIKeyIIWXPGLHVHTZIR-UHFFFAOYSA-N
XLogP1.07
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (CID 91797048) is 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is CC(C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1)N1CCCC1=O.
What is the InChIKey of 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is IIWXPGLHVHTZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12(25-9-2-3-17(25)26)20(28)24-10-8-15-16(11-24)23-19(22-15)14-6-4-13(5-7-14)18(21)27/h4-7,12H,2-3,8-11H2,1H3,(H2,21,27)(H,22,23).
What are the key properties of 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 91797048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).