2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide

C24H25N5O5 — CID 68730711

About 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide

2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide (PubChem CID 68730711) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide
• PubChem CID: 68730711
• Molecular Formula: C24H25N5O5
• Molecular Weight: 463.49 g/mol
• Exact Mass: 463.19
• IUPAC Name: 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide
• SMILES: Cc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)cc1-c1cccc(C(N)=O)c1CO
• InChI: InChI=1S/C24H25N5O5/c1-14-18(16-3-2-4-17(22(25)31)19(16)13-30)11-20(23(32)27-14)28-21-6-5-15(12-26-21)24(33)29-7-9-34-10-8-29/h2-6,11-12,30H,7-10,13H2,1H3,(H2,25,31)(H,26,28)(H,27,32)
• InChIKey: BRHCIHDXOSWXHH-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 150.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide?

The IUPAC name of 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide (CID 68730711) is 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide.

What is the SMILES notation for 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide?

The canonical SMILES for 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide is Cc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)cc1-c1cccc(C(N)=O)c1CO.

What is the InChIKey of 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide?

The InChIKey is BRHCIHDXOSWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-14-18(16-3-2-4-17(22(25)31)19(16)13-30)11-20(23(32)27-14)28-21-6-5-15(12-26-21)24(33)29-7-9-34-10-8-29/h2-6,11-12,30H,7-10,13H2,1H3,(H2,25,31)(H,26,28)(H,27,32).

What are the key properties of 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide?

2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxymethyl)-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]benzamide is sourced from PubChem (CID 68730711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).