4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C20H30N4O4 — CID 171910861

About 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171910861) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 171910861
• Molecular Formula: C20H30N4O4
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.23
• IUPAC Name: 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c(=O)[nH]1
• InChI: InChI=1S/C20H30N4O4/c1-13-10-14(2)22-20(27)18(13)19(26)21-12-16-5-4-15(23(16)3)11-17(25)24-6-8-28-9-7-24/h10,15-16H,4-9,11-12H2,1-3H3,(H,21,26)(H,22,27)/t15-,16+/m1/s1
• InChIKey: MEFCNNTUFFJAEI-CVEARBPZSA-N
• XLogP: 0.43
• TPSA: 94.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 171910861) is 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c(=O)[nH]1.

What is the InChIKey of 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is MEFCNNTUFFJAEI-CVEARBPZSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-13-10-14(2)22-20(27)18(13)19(26)21-12-16-5-4-15(23(16)3)11-17(25)24-6-8-28-9-7-24/h10,15-16H,4-9,11-12H2,1-3H3,(H,21,26)(H,22,27)/t15-,16+/m1/s1.

What are the key properties of 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171910861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).