5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile

C28H31N7O2 — CID 168962840

About 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile

5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (PubChem CID 168962840) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.

Molecular Properties

• Compound Name: 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
• PubChem CID: 168962840
• Molecular Formula: C28H31N7O2
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.25
• IUPAC Name: 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
• SMILES: CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCC(/C(=N\OC(C)(C)C)c2ccccn2)CC1
• InChI: InChI=1S/C28H31N7O2/c1-28(2,3)37-33-24(22-8-6-7-15-31-22)18-9-12-20(13-10-18)34(4)26-21(17-30)27(36)35(5)23-14-11-19(16-29)32-25(23)26/h6-8,11,14-15,18,20H,9-10,12-13H2,1-5H3/b33-24+
• InChIKey: OLBJUCWUXJAVHG-IWBSIUBASA-N
• XLogP: 4.29
• TPSA: 120.19 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?

The IUPAC name of 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (CID 168962840) is 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.

What is the SMILES notation for 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?

The canonical SMILES for 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCC(/C(=N\OC(C)(C)C)c2ccccn2)CC1.

What is the InChIKey of 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?

The InChIKey is OLBJUCWUXJAVHG-IWBSIUBASA-N. The full InChI is InChI=1S/C28H31N7O2/c1-28(2,3)37-33-24(22-8-6-7-15-31-22)18-9-12-20(13-10-18)34(4)26-21(17-30)27(36)35(5)23-14-11-19(16-29)32-25(23)26/h6-8,11,14-15,18,20H,9-10,12-13H2,1-5H3/b33-24+.

What are the key properties of 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?

5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile has a molecular weight of 497.60 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is sourced from PubChem (CID 168962840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).