2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C24H29F3N4O7 — CID 22405465

About 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 22405465) has the molecular formula C24H29F3N4O7 and a molecular weight of 542.51 g/mol. Its IUPAC name is 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
• PubChem CID: 22405465
• Molecular Formula: C24H29F3N4O7
• Molecular Weight: 542.51 g/mol
• Exact Mass: 542.20
• IUPAC Name: 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NC(CO)(CO)CO)c1=O)C(=O)C(F)(F)F
• InChI: InChI=1S/C24H29F3N4O7/c1-14(2)19(20(36)24(25,26)27)29-18(35)10-31-17(15-6-4-3-5-7-15)9-8-16(21(31)37)28-22(38)30-23(11-32,12-33)13-34/h3-9,14,19,32-34H,10-13H2,1-2H3,(H,29,35)(H2,28,30,38)
• InChIKey: LEINGGJTDVAGHG-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 169.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.51
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

The IUPAC name of 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 22405465) is 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

What is the SMILES notation for 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

The canonical SMILES for 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NC(CO)(CO)CO)c1=O)C(=O)C(F)(F)F.

What is the InChIKey of 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

The InChIKey is LEINGGJTDVAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O7/c1-14(2)19(20(36)24(25,26)27)29-18(35)10-31-17(15-6-4-3-5-7-15)9-8-16(21(31)37)28-22(38)30-23(11-32,12-33)13-34/h3-9,14,19,32-34H,10-13H2,1-2H3,(H,29,35)(H2,28,30,38).

What are the key properties of 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 542.51 g/mol, XLogP of 0.62, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 22405465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).