(3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C19H22N4O2 — CID 97278033

About (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97278033) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 97278033
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cn1
• InChI: InChI=1S/C19H22N4O2/c1-13-7-14(2)21-9-16(13)10-22-19(25)15-8-18(24)23(11-15)12-17-5-3-4-6-20-17/h3-7,9,15H,8,10-12H2,1-2H3,(H,22,25)/t15-/m1/s1
• InChIKey: ZDOMDPLSVHYRRN-OAHLLOKOSA-N
• XLogP: 1.76
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 97278033) is (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cn1.

What is the InChIKey of (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The InChIKey is ZDOMDPLSVHYRRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-7-14(2)21-9-16(13)10-22-19(25)15-8-18(24)23(11-15)12-17-5-3-4-6-20-17/h3-7,9,15H,8,10-12H2,1-2H3,(H,22,25)/t15-/m1/s1.

What are the key properties of (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

(3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97278033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).