(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C24H26N4O2 — CID 92610179

About (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92610179) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
• PubChem CID: 92610179
• Molecular Formula: C24H26N4O2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.21
• IUPAC Name: (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
• SMILES: CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccnc2)CCO1
• InChI: InChI=1S/C24H26N4O2/c1-25-23(29)24(18-28(11-12-30-24)17-20-6-3-9-26-15-20)14-19-5-2-7-21(13-19)22-8-4-10-27-16-22/h2-10,13,15-16H,11-12,14,17-18H2,1H3,(H,25,29)/t24-/m1/s1
• InChIKey: IXOKQDHOGRYNQG-XMMPIXPASA-N
• XLogP: 2.70
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?

The IUPAC name of (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92610179) is (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

What is the SMILES notation for (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?

The canonical SMILES for (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccnc2)CCO1.

What is the InChIKey of (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?

The InChIKey is IXOKQDHOGRYNQG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O2/c1-25-23(29)24(18-28(11-12-30-24)17-20-6-3-9-26-15-20)14-19-5-2-7-21(13-19)22-8-4-10-27-16-22/h2-10,13,15-16H,11-12,14,17-18H2,1H3,(H,25,29)/t24-/m1/s1.

What are the key properties of (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?

(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92610179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).