N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide

C18H17ClF3N5O3 — CID 86732213

About N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide

N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide (PubChem CID 86732213) has the molecular formula C18H17ClF3N5O3 and a molecular weight of 443.81 g/mol. Its IUPAC name is N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide
• PubChem CID: 86732213
• Molecular Formula: C18H17ClF3N5O3
• Molecular Weight: 443.81 g/mol
• Exact Mass: 443.10
• IUPAC Name: N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide
• SMILES: COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)C[C@@H](C(F)(F)F)OC(N)=N1
• InChI: InChI=1S/C18H17ClF3N5O3/c1-17(6-13(18(20,21)22)30-16(23)27-17)11-5-10(8-25-15(11)29-2)26-14(28)12-4-3-9(19)7-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,27)(H,26,28)/t13-,17-/m0/s1
• InChIKey: GHQNDDOLLUWAEX-GUYCJALGSA-N
• XLogP: 3.27
• TPSA: 111.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.81
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide?

The IUPAC name of N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide (CID 86732213) is N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide.

What is the SMILES notation for N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide?

The canonical SMILES for N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide is COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)C[C@@H](C(F)(F)F)OC(N)=N1.

What is the InChIKey of N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide?

The InChIKey is GHQNDDOLLUWAEX-GUYCJALGSA-N. The full InChI is InChI=1S/C18H17ClF3N5O3/c1-17(6-13(18(20,21)22)30-16(23)27-17)11-5-10(8-25-15(11)29-2)26-14(28)12-4-3-9(19)7-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,27)(H,26,28)/t13-,17-/m0/s1.

What are the key properties of N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide?

N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide has a molecular weight of 443.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-methoxy-3-pyridinyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 86732213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).