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

C17H14ClF4N5O3 — CID 78060183

IUPACN-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide
SMILESCC1(c2nc(NC(=O)c3ncc(OCF)cc3Cl)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28)
InChIKeyUXWJPYCELGAIGP-UHFFFAOYSA-N
MW447.78 g/mol
LogP3.02
Rot. Bonds5

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

N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide (PubChem CID 78060183) has the molecular formula C17H14ClF4N5O3 and a molecular weight of 447.78 g/mol. Its IUPAC name is N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide
PubChem CID78060183
Molecular FormulaC17H14ClF4N5O3
Molecular Weight447.78 g/mol
Exact Mass447.07
IUPAC NameN-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide
SMILESCC1(c2nc(NC(=O)c3ncc(OCF)cc3Cl)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28)
InChIKeyUXWJPYCELGAIGP-UHFFFAOYSA-N
XLogP3.02
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-(3-methoxyprop-1-ynyl)pyridine-2-carboxamide
CID 71529373
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloropyridine-2-carboxamide
CID 71271537
N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 78060194
N-[6-(2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 78060282
[3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate
CID 129158424
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide
CID 53241934
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 53241711
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethoxypyridine-2-carboxamide
CID 71305034
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide
CID 56646113
N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86296222
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 67234953

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide (CID 78060183) is N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide is CC1(c2nc(NC(=O)c3ncc(OCF)cc3Cl)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide?
The InChIKey is UXWJPYCELGAIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28).
What are the key properties of N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide?
N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide has a molecular weight of 447.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-5-fluoro-2-pyridinyl]-3-chloro-5-(fluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 78060183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).