8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

C30H36FN7O2 — CID 168962652

IUPAC8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1.Cc1cc(/C=N\OC(C)(C)C)c(C)nc1F
InChIInChI=1S/C18H19N5O.C12H17FN2O/c1-22(13-6-4-3-5-7-13)17-14(11-20)18(24)23(2)15-9-8-12(10-19)21-16(15)17;1-8-6-10(9(2)15-11(8)13)7-14-16-12(3,4)5/h8-9,13H,3-7H2,1-2H3;6-7H,1-5H3/b;14-7-
InChIKeyFOXPUMZZOXXLAX-GAXKGPLBSA-N
MW545.66 g/mol
LogP5.43
Rot. Bonds4

About 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (PubChem CID 168962652) has the molecular formula C30H36FN7O2 and a molecular weight of 545.66 g/mol. Its IUPAC name is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.

Molecular Properties

Compound Name8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
PubChem CID168962652
Molecular FormulaC30H36FN7O2
Molecular Weight545.66 g/mol
Exact Mass545.29
IUPAC Name8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1.Cc1cc(/C=N\OC(C)(C)C)c(C)nc1F
InChIInChI=1S/C18H19N5O.C12H17FN2O/c1-22(13-6-4-3-5-7-13)17-14(11-20)18(24)23(2)15-9-8-12(10-19)21-16(15)17;1-8-6-10(9(2)15-11(8)13)7-14-16-12(3,4)5/h8-9,13H,3-7H2,1-2H3;6-7H,1-5H3/b;14-7-
InChIKeyFOXPUMZZOXXLAX-GAXKGPLBSA-N
XLogP5.43
TPSA120.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.66
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The IUPAC name of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (CID 168962652) is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.
What is the SMILES notation for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The canonical SMILES for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1.Cc1cc(/C=N\OC(C)(C)C)c(C)nc1F.
What is the InChIKey of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The InChIKey is FOXPUMZZOXXLAX-GAXKGPLBSA-N. The full InChI is InChI=1S/C18H19N5O.C12H17FN2O/c1-22(13-6-4-3-5-7-13)17-14(11-20)18(24)23(2)15-9-8-12(10-19)21-16(15)17;1-8-6-10(9(2)15-11(8)13)7-14-16-12(3,4)5/h8-9,13H,3-7H2,1-2H3;6-7H,1-5H3/b;14-7-.
What are the key properties of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine has a molecular weight of 545.66 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is sourced from PubChem (CID 168962652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).