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

C17H15ClF2N4O2 — CID 90656192

IUPACN-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@@H]1F
InChIInChI=1S/C17H15ClF2N4O2/c1-17(16(20)26-8-14(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,16H,8H2,1H3,(H2,21,24)(H,23,25)/t16-,17?/m0/s1
InChIKeyHBJCZLYQYZGGRO-BHWOMJMDSA-N
MW380.78 g/mol
LogP3.02
Rot. Bonds3

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

N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (PubChem CID 90656192) has the molecular formula C17H15ClF2N4O2 and a molecular weight of 380.78 g/mol. Its IUPAC name is N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
PubChem CID90656192
Molecular FormulaC17H15ClF2N4O2
Molecular Weight380.78 g/mol
Exact Mass380.09
IUPAC NameN-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@@H]1F
InChIInChI=1S/C17H15ClF2N4O2/c1-17(16(20)26-8-14(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,16H,8H2,1H3,(H2,21,24)(H,23,25)/t16-,17?/m0/s1
InChIKeyHBJCZLYQYZGGRO-BHWOMJMDSA-N
XLogP3.02
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (CID 90656192) is N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@@H]1F.
What is the InChIKey of N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is HBJCZLYQYZGGRO-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H15ClF2N4O2/c1-17(16(20)26-8-14(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,16H,8H2,1H3,(H2,21,24)(H,23,25)/t16-,17?/m0/s1.
What are the key properties of N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 380.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-5-amino-2-fluoro-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 90656192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).