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

C21H22F2N4O3 — CID 66558775

IUPACN-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESC[C@]1(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)N=C(N)OC[C@@H]1F
InChIInChI=1S/C21H22F2N4O3/c1-21(18(23)11-30-20(24)27-21)15-8-13(4-6-16(15)22)26-19(28)17-7-5-14(9-25-17)29-10-12-2-3-12/h4-9,12,18H,2-3,10-11H2,1H3,(H2,24,27)(H,26,28)/t18-,21+/m0/s1
InChIKeyGWXKLHUXFNWDLV-GHTZIAJQSA-N
MW416.43 g/mol
LogP3.16
Rot. Bonds6

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

N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 66558775) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID66558775
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC NameN-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESC[C@]1(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)N=C(N)OC[C@@H]1F
InChIInChI=1S/C21H22F2N4O3/c1-21(18(23)11-30-20(24)27-21)15-8-13(4-6-16(15)22)26-19(28)17-7-5-14(9-25-17)29-10-12-2-3-12/h4-9,12,18H,2-3,10-11H2,1H3,(H2,24,27)(H,26,28)/t18-,21+/m0/s1
InChIKeyGWXKLHUXFNWDLV-GHTZIAJQSA-N
XLogP3.16
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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US9605007, Comparator 3
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CID 118885049
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CID 155517833
N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 155537873
CID 53240812
CID 53240812
CID 53241933
CID 53241933
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 66558775) is N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide is C[C@]1(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)N=C(N)OC[C@@H]1F.
What is the InChIKey of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is GWXKLHUXFNWDLV-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-21(18(23)11-30-20(24)27-21)15-8-13(4-6-16(15)22)26-19(28)17-7-5-14(9-25-17)29-10-12-2-3-12/h4-9,12,18H,2-3,10-11H2,1H3,(H2,24,27)(H,26,28)/t18-,21+/m0/s1.
What are the key properties of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 66558775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).