5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde

C30H36ClF2N5O2 — CID 164593866

IUPAC5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde
SMILESC=C.C=C/C=N\N(C)/C(C)=C1\C=CC(c2c(F)ccc(NC)c2F)=CN1C=C.C=O.COc1ncc(Cl)cc1C
InChIInChI=1S/C20H22F2N4.C7H8ClNO.C2H4.CH2O/c1-6-12-24-25(5)14(3)18-11-8-15(13-26(18)7-2)19-16(21)9-10-17(23-4)20(19)22;1-5-3-6(8)4-9-7(5)10-2;2*1-2/h6-13,23H,1-2H2,3-5H3;3-4H,1-2H3;1-2H2;1H2/b18-14+,24-12-;;;
InChIKeyDYJHQHNAVHLUIG-CIHYORSMSA-N
MW572.10 g/mol
LogP7.37
Rot. Bonds7

About 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde

5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde (PubChem CID 164593866) has the molecular formula C30H36ClF2N5O2 and a molecular weight of 572.10 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde
PubChem CID164593866
Molecular FormulaC30H36ClF2N5O2
Molecular Weight572.10 g/mol
Exact Mass571.25
IUPAC Name5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde
SMILESC=C.C=C/C=N\N(C)/C(C)=C1\C=CC(c2c(F)ccc(NC)c2F)=CN1C=C.C=O.COc1ncc(Cl)cc1C
InChIInChI=1S/C20H22F2N4.C7H8ClNO.C2H4.CH2O/c1-6-12-24-25(5)14(3)18-11-8-15(13-26(18)7-2)19-16(21)9-10-17(23-4)20(19)22;1-5-3-6(8)4-9-7(5)10-2;2*1-2/h6-13,23H,1-2H2,3-5H3;3-4H,1-2H3;1-2H2;1H2/b18-14+,24-12-;;;
InChIKeyDYJHQHNAVHLUIG-CIHYORSMSA-N
XLogP7.37
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.10
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[(6E)-1-ethenyl-6-[1-(1H-imidazol-2-yl)ethylidene]-3-pyridinyl]-4-fluoro-N-methylaniline;5-chloro-2-methoxy-3-methylpyridine;formaldehyde
CID 164594159
3-[(5E)-4-ethenyl-5-[1-(1H-imidazol-2-yl)ethylidene]pyrazin-2-yl]-2,4-difluoro-N-methylaniline;5-fluoro-2-methoxy-3-methylpyridine;formaldehyde
CID 164594821
(3E)-3-[5-[3-[[5-chloro-2-(methylamino)-3-pyridinyl]amino]-2,6-difluorophenyl]-1-ethenylpyrazin-2-ylidene]butan-2-one
CID 164594647
acetylene;5-chloro-2-methoxy-3-methylpyridine;ethene;4-fluoro-N,2-dimethyl-3-[2-[5-methyl-6-(propyliminomethyl)-3-pyridinyl]ethyl]aniline
CID 164593452
5-chloro-N-[3-[(5E)-4-ethenyl-5-(3-oxobutan-2-ylidene)pyrazin-2-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide;ethane
CID 164594438
5-chloro-N-[3-[(5E)-4-ethenyl-5-(3-oxobutan-2-ylidene)pyrazin-2-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide
CID 164594439
N-[(3E)-3-[5-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-1H-pyridin-2-ylidene]but-1-en-2-yl]-N'-methylmethanimidamide;ethane
CID 164594260
7-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2,6-difluorophenyl]isoquinolin-3-amine
CID 156833388
N-[(5-chloro-2-methoxy-3-pyridinyl)sulfanyl]-2,4-difluoro-3-[5-fluoro-1-[C-methyl-N-[(Z)-pent-1-enyl]carbonimidoyl]imidazo[1,5-a]pyridin-6-yl]aniline
CID 164593738
N-[3-(8-acetyl-2-methoxyimidazo[1,5-a]pyrimidin-3-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593971
N-[(5-chloro-2-methoxy-3-pyridinyl)methyl]-3-[(2S,5E)-4-ethenyl-1-methyl-5-[3-[(Z)-prop-1-enyl]iminobutan-2-ylidene]piperazin-2-yl]-2,4-difluoroaniline
CID 164593698
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164934668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde?
The IUPAC name of 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde (CID 164593866) is 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde.
What is the SMILES notation for 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde?
The canonical SMILES for 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde is C=C.C=C/C=N\N(C)/C(C)=C1\C=CC(c2c(F)ccc(NC)c2F)=CN1C=C.C=O.COc1ncc(Cl)cc1C.
What is the InChIKey of 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde?
The InChIKey is DYJHQHNAVHLUIG-CIHYORSMSA-N. The full InChI is InChI=1S/C20H22F2N4.C7H8ClNO.C2H4.CH2O/c1-6-12-24-25(5)14(3)18-11-8-15(13-26(18)7-2)19-16(21)9-10-17(23-4)20(19)22;1-5-3-6(8)4-9-7(5)10-2;2*1-2/h6-13,23H,1-2H2,3-5H3;3-4H,1-2H3;1-2H2;1H2/b18-14+,24-12-;;;.
What are the key properties of 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde?
5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde has a molecular weight of 572.10 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-methylpyridine;ethene;3-[(6E)-1-ethenyl-6-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]ethylidene]-3-pyridinyl]-2,4-difluoro-N-methylaniline;formaldehyde is sourced from PubChem (CID 164593866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).