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

C26H33N7O3S — CID 159490854

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

N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159490854) has the molecular formula C26H33N7O3S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159490854
• Molecular Formula: C26H33N7O3S
• Molecular Weight: 523.66 g/mol
• Exact Mass: 523.24
• IUPAC Name: N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CSCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C4CCOC4)c(C)nc32)ncc1C#N
• InChI: InChI=1S/C26H33N7O3S/c1-17-20(15-32(2)25(34)19-6-9-36-16-19)11-18-5-4-8-33(24(18)30-17)26(35)31-23-12-22(28-7-10-37-3)21(13-27)14-29-23/h11-12,14,19H,4-10,15-16H2,1-3H3,(H2,28,29,31,35)
• InChIKey: LYECEMJAJVQXEF-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 123.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.66
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159490854) is N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CSCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C4CCOC4)c(C)nc32)ncc1C#N.

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

The InChIKey is LYECEMJAJVQXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3S/c1-17-20(15-32(2)25(34)19-6-9-36-16-19)11-18-5-4-8-33(24(18)30-17)26(35)31-23-12-22(28-7-10-37-3)21(13-27)14-29-23/h11-12,14,19H,4-10,15-16H2,1-3H3,(H2,28,29,31,35).

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

N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 523.66 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[[methyl(oxolane-3-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159490854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).