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

C19H17F3N4O2 — CID 137305204

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

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 137305204) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 137305204
• Molecular Formula: C19H17F3N4O2
• Molecular Weight: 390.37 g/mol
• Exact Mass: 390.13
• IUPAC Name: N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C19H17F3N4O2/c1-11(2)26(18(28)12-7-8-15(23-9-12)19(20,21)22)10-16-24-14-6-4-3-5-13(14)17(27)25-16/h3-9,11H,10H2,1-2H3,(H,24,25,27)
• InChIKey: ORRRSPMEWUSLHZ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.37
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 137305204) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C(F)(F)F)nc1.

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

The InChIKey is ORRRSPMEWUSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11(2)26(18(28)12-7-8-15(23-9-12)19(20,21)22)10-16-24-14-6-4-3-5-13(14)17(27)25-16/h3-9,11H,10H2,1-2H3,(H,24,25,27).

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

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 137305204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).