N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide

C18H18ClF2N5O3 — CID 126754926

IUPACN-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cc(F)c(Cl)c([C@@]3(CF)C[C@@H](C)OC(N)=N3)c2)cn1
InChIInChI=1S/C18H18ClF2N5O3/c1-9-5-18(8-20,26-17(22)29-9)11-3-10(4-12(21)15(11)19)25-16(27)13-6-24-14(28-2)7-23-13/h3-4,6-7,9H,5,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,18+/m1/s1
InChIKeyNVFGKCHQPAQYFC-LZVRBXCZSA-N
MW425.82 g/mol
LogP2.82
Rot. Bonds5

About N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide

N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide (PubChem CID 126754926) has the molecular formula C18H18ClF2N5O3 and a molecular weight of 425.82 g/mol. Its IUPAC name is N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide
PubChem CID126754926
Molecular FormulaC18H18ClF2N5O3
Molecular Weight425.82 g/mol
Exact Mass425.11
IUPAC NameN-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cc(F)c(Cl)c([C@@]3(CF)C[C@@H](C)OC(N)=N3)c2)cn1
InChIInChI=1S/C18H18ClF2N5O3/c1-9-5-18(8-20,26-17(22)29-9)11-3-10(4-12(21)15(11)19)25-16(27)13-6-24-14(28-2)7-23-13/h3-4,6-7,9H,5,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,18+/m1/s1
InChIKeyNVFGKCHQPAQYFC-LZVRBXCZSA-N
XLogP2.82
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoro-5-methylphenyl]-5-methoxypyrazine-2-carboxamide
CID 123579406
N-[3-[2-amino-4-(fluoromethyl)-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 166685719
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 71667594
N-[3-[(4S,4aS,7R,8aR)-2-amino-4-(fluoromethyl)-7-methyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-chlorophenyl]-5-methoxypyrazine-2-carboxamide
CID 166685708
N-[3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide
CID 90372802
N-[3-[(2S,5R)-6-amino-5-cyano-2-(fluoromethyl)-5-methyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 126733871
N-[3-[(4S,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4,5-difluorophenyl]-5-chloropyridine-2-carboxamide
CID 130435270
2-[3-[(4S,6R)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone
CID 159424151
N-[3-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-but-2-ynoxypyridine-2-carboxamide
CID 123477293
N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 123775451
N-[3-[2-amino-4,6-bis(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 169493682
N-[3-[(4S,4aS,7S,8aR)-2-amino-4-(fluoromethyl)-7-methyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 160696094

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide (CID 126754926) is N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide is COc1cnc(C(=O)Nc2cc(F)c(Cl)c([C@@]3(CF)C[C@@H](C)OC(N)=N3)c2)cn1.
What is the InChIKey of N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
The InChIKey is NVFGKCHQPAQYFC-LZVRBXCZSA-N. The full InChI is InChI=1S/C18H18ClF2N5O3/c1-9-5-18(8-20,26-17(22)29-9)11-3-10(4-12(21)15(11)19)25-16(27)13-6-24-14(28-2)7-23-13/h3-4,6-7,9H,5,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,18+/m1/s1.
What are the key properties of N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 425.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,6R)-2-amino-4-(fluoromethyl)-6-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chloro-5-fluorophenyl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 126754926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).