N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H27F3N4O4 — CID 11852978

About N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852978) has the molecular formula C26H27F3N4O4 and a molecular weight of 516.52 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 11852978
• Molecular Formula: C26H27F3N4O4
• Molecular Weight: 516.52 g/mol
• Exact Mass: 516.20
• IUPAC Name: N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1c(CCC(=O)N(C)C)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C26H27F3N4O4/c1-15-17(9-10-23(34)32(2)3)11-21(24(35)30-14-20-13-22(31-37-20)16-7-8-16)25(36)33(15)19-6-4-5-18(12-19)26(27,28)29/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,30,35)
• InChIKey: WZOBVWSWRSCPCI-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 97.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.52
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852978) is N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(CCC(=O)N(C)C)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is WZOBVWSWRSCPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O4/c1-15-17(9-10-23(34)32(2)3)11-21(24(35)30-14-20-13-22(31-37-20)16-7-8-16)25(36)33(15)19-6-4-5-18(12-19)26(27,28)29/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,30,35).

What are the key properties of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 516.52 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).