tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate

C24H24F4N6O4 — CID 123527465

About tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate

tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate (PubChem CID 123527465) has the molecular formula C24H24F4N6O4 and a molecular weight of 536.49 g/mol. Its IUPAC name is tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate
• PubChem CID: 123527465
• Molecular Formula: C24H24F4N6O4
• Molecular Weight: 536.49 g/mol
• Exact Mass: 536.18
• IUPAC Name: tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate
• SMILES: Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C2(C)CC(C(F)(F)F)OC(NC(=O)OC(C)(C)C)=N2)n1
• InChI: InChI=1S/C24H24F4N6O4/c1-12-8-13(10-29)11-30-17(12)19(35)32-16-7-6-14(25)18(31-16)23(5)9-15(24(26,27)28)37-20(34-23)33-21(36)38-22(2,3)4/h6-8,11,15H,9H2,1-5H3,(H,31,32,35)(H,33,34,36)
• InChIKey: IRIWXOAWNDSVPU-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 138.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.49
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate?

The IUPAC name of tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate (CID 123527465) is tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate is Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C2(C)CC(C(F)(F)F)OC(NC(=O)OC(C)(C)C)=N2)n1.

What is the InChIKey of tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate?

The InChIKey is IRIWXOAWNDSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O4/c1-12-8-13(10-29)11-30-17(12)19(35)32-16-7-6-14(25)18(31-16)23(5)9-15(24(26,27)28)37-20(34-23)33-21(36)38-22(2,3)4/h6-8,11,15H,9H2,1-5H3,(H,31,32,35)(H,33,34,36).

What are the key properties of tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate?

tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate has a molecular weight of 536.49 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[6-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate is sourced from PubChem (CID 123527465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).