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

C16H13ClF3N5O2 — CID 71271537

IUPACN-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloropyridine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncccc3Cl)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/m1/s1
InChIKeyMQFTZDVMSMFRAU-OAHLLOKOSA-N
MW399.76 g/mol
LogP2.72
Rot. Bonds3

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

N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloropyridine-2-carboxamide (PubChem CID 71271537) has the molecular formula C16H13ClF3N5O2 and a molecular weight of 399.76 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]-3-chloropyridine-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]-3-chloropyridine-2-carboxamide
PubChem CID71271537
Molecular FormulaC16H13ClF3N5O2
Molecular Weight399.76 g/mol
Exact Mass399.07
IUPAC NameN-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloropyridine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncccc3Cl)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/m1/s1
InChIKeyMQFTZDVMSMFRAU-OAHLLOKOSA-N
XLogP2.72
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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
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-[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-(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
[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-[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
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]-1,3-oxazole-4-carboxamide
CID 53241006
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
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 67232798
N-[3-(3-amino-6,6-difluoro-5-methyl-1,3-oxazepan-5-yl)-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 71293158

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]-3-chloropyridine-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]-3-chloropyridine-2-carboxamide (CID 71271537) is N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloropyridine-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]-3-chloropyridine-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]-3-chloropyridine-2-carboxamide is C[C@]1(c2nc(NC(=O)c3ncccc3Cl)ccc2F)N=C(N)OCC1(F)F.
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]-3-chloropyridine-2-carboxamide?
The InChIKey is MQFTZDVMSMFRAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/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]-3-chloropyridine-2-carboxamide?
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloropyridine-2-carboxamide has a molecular weight of 399.76 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 71271537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).