N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C25H31N7O4 — CID 118036626

About N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036626) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036626
• Molecular Formula: C25H31N7O4
• Molecular Weight: 493.57 g/mol
• Exact Mass: 493.24
• IUPAC Name: N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C25H31N7O4/c1-16(2)36-21-10-22(27-12-19(21)11-26)29-25(35)32-8-6-7-17-9-18(20(15-33)28-24(17)32)13-31(5)23(34)14-30(3)4/h9-10,12,15-16H,6-8,13-14H2,1-5H3,(H,27,29,35)
• InChIKey: FMSJSBJDKDQIAH-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 131.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.57
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036626) is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N.

What is the InChIKey of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is FMSJSBJDKDQIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-16(2)36-21-10-22(27-12-19(21)11-26)29-25(35)32-8-6-7-17-9-18(20(15-33)28-24(17)32)13-31(5)23(34)14-30(3)4/h9-10,12,15-16H,6-8,13-14H2,1-5H3,(H,27,29,35).

What are the key properties of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).