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

C17H12ClF3N6O2 — CID 70356242

IUPACN-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)n2)c(Cl)c1
InChIInChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1
InChIKeyLVXIXHYWPFXDKS-KRWDZBQOSA-N
MW424.77 g/mol
LogP2.24
Rot. Bonds4

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

N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (PubChem CID 70356242) has the molecular formula C17H12ClF3N6O2 and a molecular weight of 424.77 g/mol. Its IUPAC name is N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
PubChem CID70356242
Molecular FormulaC17H12ClF3N6O2
Molecular Weight424.77 g/mol
Exact Mass424.07
IUPAC NameN-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)n2)c(Cl)c1
InChIInChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1
InChIKeyLVXIXHYWPFXDKS-KRWDZBQOSA-N
XLogP2.24
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-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-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (CID 70356242) is N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)n2)c(Cl)c1.
What is the InChIKey of N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The InChIKey is LVXIXHYWPFXDKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1.
What are the key properties of N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide?
N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide has a molecular weight of 424.77 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 70356242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).