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

C17H12ClF3N6O2 — CID 71274019

IUPACN-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
InChIKeyXZRLHXIFWZKMCO-MRXNPFEDSA-N
MW424.77 g/mol
LogP2.59
Rot. Bonds3

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

N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (PubChem CID 71274019) has the molecular formula C17H12ClF3N6O2 and a molecular weight of 424.77 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-chloro-5-cyanopyridine-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-chloro-5-cyanopyridine-2-carboxamide
PubChem CID71274019
Molecular FormulaC17H12ClF3N6O2
Molecular Weight424.77 g/mol
Exact Mass424.07
IUPAC NameN-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
InChIKeyXZRLHXIFWZKMCO-MRXNPFEDSA-N
XLogP2.59
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 52.59
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]-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-methyl-6H-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-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (CID 71274019) is N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-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-methyl-6H-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-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide is C[C@]1(c2nc(NC(=O)c3ncc(C#N)cc3Cl)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-chloro-5-cyanopyridine-2-carboxamide?
The InChIKey is XZRLHXIFWZKMCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/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-chloro-5-cyanopyridine-2-carboxamide?
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide has a molecular weight of 424.77 g/mol, XLogP of 2.59, 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-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 71274019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).