8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine

C27H32N8O2 — CID 168962726

About 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine

8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine (PubChem CID 168962726) has the molecular formula C27H32N8O2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine.

Molecular Properties

• Compound Name: 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine
• PubChem CID: 168962726
• Molecular Formula: C27H32N8O2
• Molecular Weight: 500.61 g/mol
• Exact Mass: 500.26
• IUPAC Name: 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine
• SMILES: CC(C)(C)O/N=C\c1ccncn1.CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1
• InChI: InChI=1S/C18H19N5O.C9H13N3O/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;1-9(2,3)13-12-6-8-4-5-10-7-11-8/h8-9,13H,3-7H2,1-2H3;4-7H,1-3H3/b;12-6-
• InChIKey: NMIKOJDDRNGNBZ-CNVRTYJXSA-N
• XLogP: 4.07
• TPSA: 133.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.61
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine?

The IUPAC name of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine (CID 168962726) is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine.

What is the SMILES notation for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine?

The canonical SMILES for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine is CC(C)(C)O/N=C\c1ccncn1.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;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine?

The InChIKey is NMIKOJDDRNGNBZ-CNVRTYJXSA-N. The full InChI is InChI=1S/C18H19N5O.C9H13N3O/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;1-9(2,3)13-12-6-8-4-5-10-7-11-8/h8-9,13H,3-7H2,1-2H3;4-7H,1-3H3/b;12-6-.

What are the key properties of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine?

8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine has a molecular weight of 500.61 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 10 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)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine is sourced from PubChem (CID 168962726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).