4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C24H27N5O3 — CID 172670722

About 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172670722) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 172670722
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)NCC(c1ccccn1)N1CCOCC1
• InChI: InChI=1S/C24H27N5O3/c1-18-7-10-29(17-19-5-4-8-25-15-19)24(31)22(18)23(30)27-16-21(20-6-2-3-9-26-20)28-11-13-32-14-12-28/h2-10,15,21H,11-14,16-17H2,1H3,(H,27,30)
• InChIKey: LIJZLFRAGJBQKK-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 172670722) is 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)NCC(c1ccccn1)N1CCOCC1.

What is the InChIKey of 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

The InChIKey is LIJZLFRAGJBQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-18-7-10-29(17-19-5-4-8-25-15-19)24(31)22(18)23(30)27-16-21(20-6-2-3-9-26-20)28-11-13-32-14-12-28/h2-10,15,21H,11-14,16-17H2,1H3,(H,27,30).

What are the key properties of 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172670722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).