(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide

C18H21N5O2 — CID 95199236

About (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide

(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 95199236) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
• PubChem CID: 95199236
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
• SMILES: O=C(Nc1cnc2n1CCCC2)[C@@H]1CC(=O)N(Cc2cccnc2)C1
• InChI: InChI=1S/C18H21N5O2/c24-17-8-14(12-22(17)11-13-4-3-6-19-9-13)18(25)21-16-10-20-15-5-1-2-7-23(15)16/h3-4,6,9-10,14H,1-2,5,7-8,11-12H2,(H,21,25)/t14-/m1/s1
• InChIKey: LJYAZHLIPKHVSY-CQSZACIVSA-N
• XLogP: 1.60
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide (CID 95199236) is (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide is O=C(Nc1cnc2n1CCCC2)[C@@H]1CC(=O)N(Cc2cccnc2)C1.

What is the InChIKey of (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide?

The InChIKey is LJYAZHLIPKHVSY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-8-14(12-22(17)11-13-4-3-6-19-9-13)18(25)21-16-10-20-15-5-1-2-7-23(15)16/h3-4,6,9-10,14H,1-2,5,7-8,11-12H2,(H,21,25)/t14-/m1/s1.

What are the key properties of (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide?

(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95199236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).