(3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C22H26N4O4 — CID 38139612

About (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 38139612) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 38139612
• Molecular Formula: C22H26N4O4
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.20
• IUPAC Name: (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O
• InChI: InChI=1S/C22H26N4O4/c1-15-3-5-19(29-2)18(11-15)26-14-16(12-21(26)27)22(28)24-20-6-4-17(13-23-20)25-7-9-30-10-8-25/h3-6,11,13,16H,7-10,12,14H2,1-2H3,(H,23,24,28)/t16-/m1/s1
• InChIKey: DFKCIEKPBKNGCC-MRXNPFEDSA-N
• XLogP: 2.23
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 38139612) is (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O.

What is the InChIKey of (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is DFKCIEKPBKNGCC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-3-5-19(29-2)18(11-15)26-14-16(12-21(26)27)22(28)24-20-6-4-17(13-23-20)25-7-9-30-10-8-25/h3-6,11,13,16H,7-10,12,14H2,1-2H3,(H,23,24,28)/t16-/m1/s1.

What are the key properties of (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?

(3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 38139612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).