2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C25H30N4O6 — CID 134716065

About 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 134716065) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 134716065
• Molecular Formula: C25H30N4O6
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.22
• IUPAC Name: 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: [H]/N=C1\Oc2cc(C)n(CCN3CCOCC3)c(=O)c2C(c2ccc(OC)c(OC)c2OC)C1C#N
• InChI: InChI=1S/C25H30N4O6/c1-15-13-19-21(25(30)29(15)8-7-28-9-11-34-12-10-28)20(17(14-26)24(27)35-19)16-5-6-18(31-2)23(33-4)22(16)32-3/h5-6,13,17,20,27H,7-12H2,1-4H3/b27-24-
• InChIKey: RAFDWVMTAZTYQM-PNHLSOANSA-N
• XLogP: 2.16
• TPSA: 119.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 134716065) is 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=C1\Oc2cc(C)n(CCN3CCOCC3)c(=O)c2C(c2ccc(OC)c(OC)c2OC)C1C#N.

What is the InChIKey of 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is RAFDWVMTAZTYQM-PNHLSOANSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-15-13-19-21(25(30)29(15)8-7-28-9-11-34-12-10-28)20(17(14-26)24(27)35-19)16-5-6-18(31-2)23(33-4)22(16)32-3/h5-6,13,17,20,27H,7-12H2,1-4H3/b27-24-.

What are the key properties of 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 482.54 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 134716065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).