N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H24N6O5 — CID 134256035

About N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134256035) has the molecular formula C22H24N6O5 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134256035
• Molecular Formula: C22H24N6O5
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.18
• IUPAC Name: N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C22H24N6O5/c1-27(14-30)12-16-8-15-4-3-5-28(21(15)25-18(16)13-29)22(31)26-20-9-19(33-7-6-32-2)17(10-23)11-24-20/h8-9,11,13-14H,3-7,12H2,1-2H3,(H,24,26,31)
• InChIKey: HKNBWGQRQWWILF-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 137.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134256035) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is HKNBWGQRQWWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5/c1-27(14-30)12-16-8-15-4-3-5-28(21(15)25-18(16)13-29)22(31)26-20-9-19(33-7-6-32-2)17(10-23)11-24-20/h8-9,11,13-14H,3-7,12H2,1-2H3,(H,24,26,31).

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

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134256035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).