3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide

C17H15F5N6O2 — CID 71274020

IUPAC3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(C(F)F)cc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H15F5N6O2/c1-16(17(21,22)6-30-15(24)28-16)12-8(18)2-3-10(26-12)27-14(29)11-9(23)4-7(5-25-11)13(19)20/h2-5,13H,6,23H2,1H3,(H2,24,28)(H,26,27,29)/t16-/m1/s1
InChIKeyWFIZWFCJKHASMD-MRXNPFEDSA-N
MW430.34 g/mol
LogP2.58
Rot. Bonds4

About 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide

3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 71274020) has the molecular formula C17H15F5N6O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide
PubChem CID71274020
Molecular FormulaC17H15F5N6O2
Molecular Weight430.34 g/mol
Exact Mass430.12
IUPAC Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(C(F)F)cc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H15F5N6O2/c1-16(17(21,22)6-30-15(24)28-16)12-8(18)2-3-10(26-12)27-14(29)11-9(23)4-7(5-25-11)13(19)20/h2-5,13H,6,23H2,1H3,(H2,24,28)(H,26,27,29)/t16-/m1/s1
InChIKeyWFIZWFCJKHASMD-MRXNPFEDSA-N
XLogP2.58
TPSA128.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide (CID 71274020) is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide is C[C@]1(c2nc(NC(=O)c3ncc(C(F)F)cc3N)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide?
The InChIKey is WFIZWFCJKHASMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15F5N6O2/c1-16(17(21,22)6-30-15(24)28-16)12-8(18)2-3-10(26-12)27-14(29)11-9(23)4-7(5-25-11)13(19)20/h2-5,13H,6,23H2,1H3,(H2,24,28)(H,26,27,29)/t16-/m1/s1.
What are the key properties of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide?
3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 430.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71274020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).