4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C19H17F3N4O3 — CID 178042303

IUPAC4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCC1OC(=O)Nc2nccc(-c3cc(C(F)(F)F)cc(C4CCNC(=O)C4)n3)c21
InChIInChI=1S/C19H17F3N4O3/c1-9-16-12(3-5-24-17(16)26-18(28)29-9)14-8-11(19(20,21)22)7-13(25-14)10-2-4-23-15(27)6-10/h3,5,7-10H,2,4,6H2,1H3,(H,23,27)(H,24,26,28)
InChIKeyAFDQFPSQNJPNJX-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.78
Rot. Bonds2

About 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 178042303) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
PubChem CID178042303
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCC1OC(=O)Nc2nccc(-c3cc(C(F)(F)F)cc(C4CCNC(=O)C4)n3)c21
InChIInChI=1S/C19H17F3N4O3/c1-9-16-12(3-5-24-17(16)26-18(28)29-9)14-8-11(19(20,21)22)7-13(25-14)10-2-4-23-15(27)6-10/h3,5,7-10H,2,4,6H2,1H3,(H,23,27)(H,24,26,28)
InChIKeyAFDQFPSQNJPNJX-UHFFFAOYSA-N
XLogP3.78
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one with MolForge

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Related Compounds

(3R)-3-(6-methoxy-3-pyridinyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 42607047
CID 11692628
CID 11692628
[(3S)-3-[[4-[5-(methoxymethyl)-2-pyridinyl]cyclohex-3-en-1-yl]amino]pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 70953589
[(5S,6S,9S)-6-(2,3-difluorophenyl)-9-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl] carbamate
CID 70999629
[(5S,6R,9S)-6-(2,3-difluorophenyl)-9-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl] carbamate
CID 70999631
[6-(2,3-difluorophenyl)-9-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl] carbamate
CID 70999633
4-[5-(methoxymethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145505524
[3-[[5-[6-Amino-5-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydropyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 145592851
Benzyl 3-methyl-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-2,3-dihydropyridine]-1'-carboxylate;2,2,2-trifluoroacetic acid
CID 161478123
tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate
CID 170730383
benzyl N-[(2S)-1,1-dicyclopropyl-3-[[6-fluoro-5-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]amino]-3-oxopropan-2-yl]carbamate
CID 172114000
benzyl N-[(2S)-1,1-dicyclopropyl-3-[[6-fluoro-5-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]amino]-3-oxopropan-2-yl]carbamate
CID 172114084

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 178042303) is 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is CC1OC(=O)Nc2nccc(-c3cc(C(F)(F)F)cc(C4CCNC(=O)C4)n3)c21.
What is the InChIKey of 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is AFDQFPSQNJPNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-9-16-12(3-5-24-17(16)26-18(28)29-9)14-8-11(19(20,21)22)7-13(25-14)10-2-4-23-15(27)6-10/h3,5,7-10H,2,4,6H2,1H3,(H,23,27)(H,24,26,28).
What are the key properties of 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 406.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 178042303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).