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

C25H26N8O4 — CID 155758544

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155758544) has the molecular formula C25H26N8O4 and a molecular weight of 502.54 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 155758544
• Molecular Formula: C25H26N8O4
• Molecular Weight: 502.54 g/mol
• Exact Mass: 502.21
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(Cn4c(C)cncc4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C25H26N8O4/c1-16-11-27-13-23(35)33(16)14-18-8-17-4-3-6-32(24(17)30-21(18)15-34)25(36)31-22-9-20(28-5-7-37-2)19(10-26)12-29-22/h8-9,11-13,15H,3-7,14H2,1-2H3,(H2,28,29,31,36)
• InChIKey: UMICFEYAMNRBSZ-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 155.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.54
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155758544) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(Cn4c(C)cncc4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is UMICFEYAMNRBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O4/c1-16-11-27-13-23(35)33(16)14-18-8-17-4-3-6-32(24(17)30-21(18)15-34)25(36)31-22-9-20(28-5-7-37-2)19(10-26)12-29-22/h8-9,11-13,15H,3-7,14H2,1-2H3,(H2,28,29,31,36).

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 502.54 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(2-methyl-6-oxopyrazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155758544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).