4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide

C19H22N4O2 — CID 95138423

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
SMILESO=C(N[C@H]1CCc2nccn2C1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H22N4O2/c24-18-2-1-10-23(18)12-14-3-5-15(6-4-14)19(25)21-16-7-8-17-20-9-11-22(17)13-16/h3-6,9,11,16H,1-2,7-8,10,12-13H2,(H,21,25)/t16-/m0/s1
InChIKeyUIIJIAPWCSKAJD-INIZCTEOSA-N
MW338.41 g/mol
LogP1.75
Rot. Bonds4

About 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide

4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 95138423) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID95138423
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
SMILESO=C(N[C@H]1CCc2nccn2C1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H22N4O2/c24-18-2-1-10-23(18)12-14-3-5-15(6-4-14)19(25)21-16-7-8-17-20-9-11-22(17)13-16/h3-6,9,11,16H,1-2,7-8,10,12-13H2,(H,21,25)/t16-/m0/s1
InChIKeyUIIJIAPWCSKAJD-INIZCTEOSA-N
XLogP1.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide (CID 95138423) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide is O=C(N[C@H]1CCc2nccn2C1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is UIIJIAPWCSKAJD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-2-1-10-23(18)12-14-3-5-15(6-4-14)19(25)21-16-7-8-17-20-9-11-22(17)13-16/h3-6,9,11,16H,1-2,7-8,10,12-13H2,(H,21,25)/t16-/m0/s1.
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 95138423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).