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

C18H18F3N5O3 — CID 71273903

IUPACN-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(C)c1
InChIInChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1
InChIKeyQOCIHSUXWNYFHI-QGZVFWFLSA-N
MW409.37 g/mol
LogP2.38
Rot. Bonds4

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

N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide (PubChem CID 71273903) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide
PubChem CID71273903
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC NameN-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(C)c1
InChIInChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1
InChIKeyQOCIHSUXWNYFHI-QGZVFWFLSA-N
XLogP2.38
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide (CID 71273903) is N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide is COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(C)c1.
What is the InChIKey of N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide?
The InChIKey is QOCIHSUXWNYFHI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1.
What are the key properties of N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide?
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 71273903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).