N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide

C17H16FN5O3 — CID 71502690

IUPACN-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC1=C[C@@](C)(c2cc(NC(=O)c3c[nH]c(=O)cn3)ccc2F)N=C(N)O1
InChIInChI=1S/C17H16FN5O3/c1-9-6-17(2,23-16(19)26-9)11-5-10(3-4-12(11)18)22-15(25)13-7-21-14(24)8-20-13/h3-8H,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeySOUXFAFYGPHYIY-KRWDZBQOSA-N
MW357.35 g/mol
LogP1.63
Rot. Bonds3

About N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 71502690) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID71502690
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC NameN-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC1=C[C@@](C)(c2cc(NC(=O)c3c[nH]c(=O)cn3)ccc2F)N=C(N)O1
InChIInChI=1S/C17H16FN5O3/c1-9-6-17(2,23-16(19)26-9)11-5-10(3-4-12(11)18)22-15(25)13-7-21-14(24)8-20-13/h3-8H,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeySOUXFAFYGPHYIY-KRWDZBQOSA-N
XLogP1.63
TPSA122.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(difluoromethyl)pyrazin-2-yl]ethanone
CID 153200847
N-[3-[(4S)-2-amino-6-(1-hydroxy-1-iodoethyl)-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 70915897
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6-oxo-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 67235585
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-4aH-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53250003
N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxamide
CID 53242163
N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 53250004
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107208827
N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide
CID 143909777
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
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-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 71502690) is N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide is CC1=C[C@@](C)(c2cc(NC(=O)c3c[nH]c(=O)cn3)ccc2F)N=C(N)O1.
What is the InChIKey of N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is SOUXFAFYGPHYIY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-9-6-17(2,23-16(19)26-9)11-5-10(3-4-12(11)18)22-15(25)13-7-21-14(24)8-20-13/h3-8H,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 71502690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).