4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde

C26H32N6O5 — CID 142284812

About 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde

4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde (PubChem CID 142284812) has the molecular formula C26H32N6O5 and a molecular weight of 508.58 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde.

Molecular Properties

• Compound Name: 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde
• PubChem CID: 142284812
• Molecular Formula: C26H32N6O5
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.24
• IUPAC Name: 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde
• SMILES: CNc1cc(OC(C)COC)c(C#N)cn1.O=Cc1nc2c(cc1CN1CCCC1=O)CCCN2C=O
• InChI: InChI=1S/C15H17N3O3.C11H15N3O2/c19-9-13-12(8-17-5-2-4-14(17)21)7-11-3-1-6-18(10-20)15(11)16-13;1-8(7-15-3)16-10-4-11(13-2)14-6-9(10)5-12/h7,9-10H,1-6,8H2;4,6,8H,7H2,1-3H3,(H,13,14)
• InChIKey: VUJWTBNOCMGSKJ-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 137.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?

The IUPAC name of 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde (CID 142284812) is 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde.

What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?

The canonical SMILES for 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde is CNc1cc(OC(C)COC)c(C#N)cn1.O=Cc1nc2c(cc1CN1CCCC1=O)CCCN2C=O.

What is the InChIKey of 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?

The InChIKey is VUJWTBNOCMGSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.C11H15N3O2/c19-9-13-12(8-17-5-2-4-14(17)21)7-11-3-1-6-18(10-20)15(11)16-13;1-8(7-15-3)16-10-4-11(13-2)14-6-9(10)5-12/h7,9-10H,1-6,8H2;4,6,8H,7H2,1-3H3,(H,13,14).

What are the key properties of 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?

4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde has a molecular weight of 508.58 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-methoxypropan-2-yloxy)-6-(methylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde is sourced from PubChem (CID 142284812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).