5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid

C50H48FN9O11 — CID 91103684

IUPAC5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
SMILESC=C1COCCN1c1ccc(Nc2nc(C)ccc2C(=O)O)cc1.O=C(O)c1cc(F)cnc1Nc1ccc(N2CCOCC2=O)cc1.O=C(O)c1cccnc1Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H19N3O3.C16H14FN3O4.C16H15N3O4/c1-12-3-8-16(18(22)23)17(19-12)20-14-4-6-15(7-5-14)21-9-10-24-11-13(21)2;17-10-7-13(16(22)23)15(18-8-10)19-11-1-3-12(4-2-11)20-5-6-24-9-14(20)21;20-14-10-23-9-8-19(14)12-5-3-11(4-6-12)18-15-13(16(21)22)2-1-7-17-15/h3-8H,2,9-11H2,1H3,(H,19,20)(H,22,23);1-4,7-8H,5-6,9H2,(H,18,19)(H,22,23);1-7H,8-10H2,(H,17,18)(H,21,22)
InChIKeyWKQOKAVGMKANLD-UHFFFAOYSA-N
MW969.98 g/mol
LogP7.09
Rot. Bonds12

About 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid

5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid (PubChem CID 91103684) has the molecular formula C50H48FN9O11 and a molecular weight of 969.98 g/mol. Its IUPAC name is 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
PubChem CID91103684
Molecular FormulaC50H48FN9O11
Molecular Weight969.98 g/mol
Exact Mass969.35
IUPAC Name5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
SMILESC=C1COCCN1c1ccc(Nc2nc(C)ccc2C(=O)O)cc1.O=C(O)c1cc(F)cnc1Nc1ccc(N2CCOCC2=O)cc1.O=C(O)c1cccnc1Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H19N3O3.C16H14FN3O4.C16H15N3O4/c1-12-3-8-16(18(22)23)17(19-12)20-14-4-6-15(7-5-14)21-9-10-24-11-13(21)2;17-10-7-13(16(22)23)15(18-8-10)19-11-1-3-12(4-2-11)20-5-6-24-9-14(20)21;20-14-10-23-9-8-19(14)12-5-3-11(4-6-12)18-15-13(16(21)22)2-1-7-17-15/h3-8H,2,9-11H2,1H3,(H,19,20)(H,22,23);1-4,7-8H,5-6,9H2,(H,18,19)(H,22,23);1-7H,8-10H2,(H,17,18)(H,21,22)
InChIKeyWKQOKAVGMKANLD-UHFFFAOYSA-N
XLogP7.09
TPSA258.21 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500969.98
LogP ≤ 57.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-Fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
CID 11515464
Ethyl 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-4-morpholin-4-ylpyridine-3-carboxylate
CID 67267927
tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 157333021
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
2-(Acetamidomethyl)pyridine-4-carboxylic acid;6-(acetamidomethyl)pyridine-3-carboxylic acid;bis(acetyl 2,2,2-trifluoroacetate);2-(aminomethyl)pyridine-4-carboxylic acid;6-(aminomethyl)pyridine-3-carboxylic acid;2-isocyanopyridine-4-carboxylic acid;6-isocyanopyridine-3-carboxylic acid;methanol
CID 160927913
(E)-3-(4-butylphenyl)prop-2-enoic acid;(E)-3-(4-tert-butylphenyl)prop-2-enoic acid;(E)-3-(6-tert-butyl-3-pyridinyl)prop-2-enoic acid;(E)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid;2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid;(E)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid;(E)-3-(4-pentylphenyl)prop-2-enoic acid;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid;(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid;(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 161955568
6-(3,4-Dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)
CID 177015514
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2469202
3-Pyridinecarboxylic acid, 6-(4-morpholinyl)-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
CID 16581156
[2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 46829171
[2-Oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 55504487
2-[4-(3-Oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
CID 11544147

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid (CID 91103684) is 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid is C=C1COCCN1c1ccc(Nc2nc(C)ccc2C(=O)O)cc1.O=C(O)c1cc(F)cnc1Nc1ccc(N2CCOCC2=O)cc1.O=C(O)c1cccnc1Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The InChIKey is WKQOKAVGMKANLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3.C16H14FN3O4.C16H15N3O4/c1-12-3-8-16(18(22)23)17(19-12)20-14-4-6-15(7-5-14)21-9-10-24-11-13(21)2;17-10-7-13(16(22)23)15(18-8-10)19-11-1-3-12(4-2-11)20-5-6-24-9-14(20)21;20-14-10-23-9-8-19(14)12-5-3-11(4-6-12)18-15-13(16(21)22)2-1-7-17-15/h3-8H,2,9-11H2,1H3,(H,19,20)(H,22,23);1-4,7-8H,5-6,9H2,(H,18,19)(H,22,23);1-7H,8-10H2,(H,17,18)(H,21,22).
What are the key properties of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid has a molecular weight of 969.98 g/mol, XLogP of 7.09, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid;6-methyl-2-[4-(3-methylidenemorpholin-4-yl)anilino]pyridine-3-carboxylic acid;2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 91103684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).