2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C21H19F3N4O4 — CID 135949343

About 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 135949343) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 135949343
• Molecular Formula: C21H19F3N4O4
• Molecular Weight: 448.40 g/mol
• Exact Mass: 448.14
• IUPAC Name: 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: O=C(c1ccc(C(F)(F)F)[nH]c1=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1
• InChI: InChI=1S/C21H19F3N4O4/c22-21(23,24)16-8-7-14(19(30)26-16)20(31)28(10-12-4-3-9-32-12)11-17-25-15-6-2-1-5-13(15)18(29)27-17/h1-2,5-8,12H,3-4,9-11H2,(H,26,30)(H,25,27,29)/t12-/m1/s1
• InChIKey: HDGVTBRNWUGGRJ-GFCCVEGCSA-N
• XLogP: 2.45
• TPSA: 108.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.40
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 135949343) is 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1.

What is the InChIKey of 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is HDGVTBRNWUGGRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c22-21(23,24)16-8-7-14(19(30)26-16)20(31)28(10-12-4-3-9-32-12)11-17-25-15-6-2-1-5-13(15)18(29)27-17/h1-2,5-8,12H,3-4,9-11H2,(H,26,30)(H,25,27,29)/t12-/m1/s1.

What are the key properties of 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 448.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 135949343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).