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

C27H33N7O4S — CID 146320363

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

N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 146320363) has the molecular formula C27H33N7O4S and a molecular weight of 551.67 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-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-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 146320363
• Molecular Formula: C27H33N7O4S
• Molecular Weight: 551.67 g/mol
• Exact Mass: 551.23
• IUPAC Name: N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CSCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C4CCOCC4)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C27H33N7O4S/c1-33(26(36)18-5-9-38-10-6-18)16-20-12-19-4-3-8-34(25(19)31-23(20)17-35)27(37)32-24-13-22(29-7-11-39-2)21(14-28)15-30-24/h12-13,15,17-18H,3-11,16H2,1-2H3,(H2,29,30,32,37)
• InChIKey: WJNTUNRCVGWCGX-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 140.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.67
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-methylsulfanylethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-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-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 146320363) is N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-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-formyl-6-[[methyl(oxane-4-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-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CSCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C4CCOCC4)c(C=O)nc32)ncc1C#N.

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

The InChIKey is WJNTUNRCVGWCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O4S/c1-33(26(36)18-5-9-38-10-6-18)16-20-12-19-4-3-8-34(25(19)31-23(20)17-35)27(37)32-24-13-22(29-7-11-39-2)21(14-28)15-30-24/h12-13,15,17-18H,3-11,16H2,1-2H3,(H2,29,30,32,37).

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

N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 551.67 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 146320363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).