N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane

C33H52N8O6 — CID 145406824

About N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane (PubChem CID 145406824) has the molecular formula C33H52N8O6 and a molecular weight of 656.83 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane
• PubChem CID: 145406824
• Molecular Formula: C33H52N8O6
• Molecular Weight: 656.83 g/mol
• Exact Mass: 656.40
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane
• SMILES: C=O.CC.CCC.CO.COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCCN(C)CC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C26H32N8O4.C3H8.C2H6.CH4O.CH2O/c1-32-7-4-8-33(24(36)16-32)15-19-11-18-5-3-9-34(25(18)30-22(19)17-35)26(37)31-23-12-21(28-6-10-38-2)20(13-27)14-29-23;1-3-2;3*1-2/h11-12,14,17H,3-10,15-16H2,1-2H3,(H2,28,29,31,37);3H2,1-2H3;1-2H3;2H,1H3;1H2
• InChIKey: SOPYIQHANVRWIO-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 181.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.83
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane?

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane (CID 145406824) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane is C=O.CC.CCC.CO.COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCCN(C)CC4=O)c(C=O)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane?

The InChIKey is SOPYIQHANVRWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O4.C3H8.C2H6.CH4O.CH2O/c1-32-7-4-8-33(24(36)16-32)15-19-11-18-5-3-9-34(25(18)30-22(19)17-35)26(37)31-23-12-21(28-6-10-38-2)20(13-27)14-29-23;1-3-2;3*1-2/h11-12,14,17H,3-10,15-16H2,1-2H3,(H2,28,29,31,37);3H2,1-2H3;1-2H3;2H,1H3;1H2.

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane has a molecular weight of 656.83 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane;formaldehyde;methanol;propane is sourced from PubChem (CID 145406824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).