N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide

C16H10ClF3N6O2 — CID 118580074

IUPACN-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(F)c([C@H]3N=C(N)OCC3(F)F)n2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N6O2/c17-8-3-7(4-21)5-23-11(8)14(27)25-10-2-1-9(18)12(24-10)13-16(19,20)6-28-15(22)26-13/h1-3,5,13H,6H2,(H2,22,26)(H,24,25,27)/t13-/m1/s1
InChIKeyKTKUHDIXZDTYCI-CYBMUJFWSA-N
MW410.74 g/mol
LogP2.41
Rot. Bonds3

About N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide

N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (PubChem CID 118580074) has the molecular formula C16H10ClF3N6O2 and a molecular weight of 410.74 g/mol. Its IUPAC name is N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
PubChem CID118580074
Molecular FormulaC16H10ClF3N6O2
Molecular Weight410.74 g/mol
Exact Mass410.05
IUPAC NameN-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(F)c([C@H]3N=C(N)OCC3(F)F)n2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N6O2/c17-8-3-7(4-21)5-23-11(8)14(27)25-10-2-1-9(18)12(24-10)13-16(19,20)6-28-15(22)26-13/h1-3,5,13H,6H2,(H2,22,26)(H,24,25,27)/t13-/m1/s1
InChIKeyKTKUHDIXZDTYCI-CYBMUJFWSA-N
XLogP2.41
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-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-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (CID 118580074) is N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(F)c([C@H]3N=C(N)OCC3(F)F)n2)c(Cl)c1.
What is the InChIKey of N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The InChIKey is KTKUHDIXZDTYCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H10ClF3N6O2/c17-8-3-7(4-21)5-23-11(8)14(27)25-10-2-1-9(18)12(24-10)13-16(19,20)6-28-15(22)26-13/h1-3,5,13H,6H2,(H2,22,26)(H,24,25,27)/t13-/m1/s1.
What are the key properties of N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
N-[6-[(4R)-2-amino-5,5-difluoro-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide has a molecular weight of 410.74 g/mol, XLogP of 2.41, 3 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-4,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 118580074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).