N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide

C19H16ClF5N4O3 — CID 90375871

IUPACN-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(CF)C[C@@H](C(F)(F)F)N=C(N)O2)c1
InChIInChI=1S/C19H16ClF5N4O3/c1-31-13-4-9(20)7-27-15(13)16(30)28-10-2-3-12(22)11(5-10)18(8-21)6-14(19(23,24)25)29-17(26)32-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1
InChIKeyJYAAQESAFAKICZ-KBXCAEBGSA-N
MW478.81 g/mol
LogP3.97
Rot. Bonds5

About N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide

N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide (PubChem CID 90375871) has the molecular formula C19H16ClF5N4O3 and a molecular weight of 478.81 g/mol. Its IUPAC name is N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
PubChem CID90375871
Molecular FormulaC19H16ClF5N4O3
Molecular Weight478.81 g/mol
Exact Mass478.08
IUPAC NameN-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(CF)C[C@@H](C(F)(F)F)N=C(N)O2)c1
InChIInChI=1S/C19H16ClF5N4O3/c1-31-13-4-9(20)7-27-15(13)16(30)28-10-2-3-12(22)11(5-10)18(8-21)6-14(19(23,24)25)29-17(26)32-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1
InChIKeyJYAAQESAFAKICZ-KBXCAEBGSA-N
XLogP3.97
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.81
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
CID 53240812
CID 53240812
CID 53241933
CID 53241933
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 73353578
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 89870630
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-3-chloro-5-(difluoromethoxy)pyridine-2-carboxamide
CID 89870632
N-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano-3-methoxypyridine-2-carboxamide
CID 89974894
N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 66558602
[4-[2-Chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone
CID 56659929
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71663693
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 71663694
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxy-3-methylpyridine-2-carboxamide
CID 166626193

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide (CID 90375871) is N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide is COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(CF)C[C@@H](C(F)(F)F)N=C(N)O2)c1.
What is the InChIKey of N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The InChIKey is JYAAQESAFAKICZ-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H16ClF5N4O3/c1-31-13-4-9(20)7-27-15(13)16(30)28-10-2-3-12(22)11(5-10)18(8-21)6-14(19(23,24)25)29-17(26)32-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1.
What are the key properties of N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide has a molecular weight of 478.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 90375871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).