8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine

C28H33N7O2 — CID 168962638

IUPAC8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
SMILESCC(C)(C)O/N=C/c1ccccn1.CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1
InChIInChI=1S/C18H19N5O.C10H14N2O/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;1-10(2,3)13-12-8-9-6-4-5-7-11-9/h8-9,13H,3-7H2,1-2H3;4-8H,1-3H3/b;12-8+
InChIKeyBWYSRYINCZUGIB-AMEPUADKSA-N
MW499.62 g/mol
LogP4.68
Rot. Bonds4

About 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine

8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine (PubChem CID 168962638) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
PubChem CID168962638
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
SMILESCC(C)(C)O/N=C/c1ccccn1.CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1
InChIInChI=1S/C18H19N5O.C10H14N2O/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;1-10(2,3)13-12-8-9-6-4-5-7-11-9/h8-9,13H,3-7H2,1-2H3;4-8H,1-3H3/b;12-8+
InChIKeyBWYSRYINCZUGIB-AMEPUADKSA-N
XLogP4.68
TPSA120.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine?
The IUPAC name of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine (CID 168962638) is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine?
The canonical SMILES for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine is CC(C)(C)O/N=C/c1ccccn1.CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1.
What is the InChIKey of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine?
The InChIKey is BWYSRYINCZUGIB-AMEPUADKSA-N. The full InChI is InChI=1S/C18H19N5O.C10H14N2O/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;1-10(2,3)13-12-8-9-6-4-5-7-11-9/h8-9,13H,3-7H2,1-2H3;4-8H,1-3H3/b;12-8+.
What are the key properties of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine?
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine has a molecular weight of 499.62 g/mol, XLogP of 4.68, 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;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 168962638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).