Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide

C₃₂H₄₂FN₅O₅ — CID 155743668

About Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide

Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide (PubChem CID 155743668) has the molecular formula C₃₂H₄₂FN₅O₅ and a molecular weight of 595.72 g/mol. Its IUPAC name is ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide.

Molecular Properties

• Compound Name: Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide
• PubChem CID: 155743668
• Molecular Formula: C₃₂H₄₂FN₅O₅
• Molecular Weight: 595.72 g/mol
• Exact Mass: 595.32
• IUPAC Name: ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide
• SMILES: CC.Cc1cccc(N(C=O)c2c(C(=O)N(C)C)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1.O=CNC1(CO)CC1
• InChI: InChI=1S/C25H27FN4O3.C5H9NO2.C2H6/c1-15-8-7-9-18(12-15)30(14-31)22-17(3)24(32)29(6)23(21(22)25(33)28(4)5)27-20-11-10-16(2)13-19(20)26;7-3-5(1-2-5)6-4-8;1-2/h7-14,27H,1-6H3;4,7H,1-3H2,(H,6,8);1-2H3
• InChIKey: MJKZXHSMABFMPN-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 123.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.72
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide?

The IUPAC name of Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide (CID 155743668) is ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide.

What is the SMILES notation for Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide?

The canonical SMILES for Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide is CC.Cc1cccc(N(C=O)c2c(C(=O)N(C)C)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1.O=CNC1(CO)CC1.

What is the InChIKey of Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide?

The InChIKey is MJKZXHSMABFMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3.C5H9NO2.C2H6/c1-15-8-7-9-18(12-15)30(14-31)22-17(3)24(32)29(6)23(21(22)25(33)28(4)5)27-20-11-10-16(2)13-19(20)26;7-3-5(1-2-5)6-4-8;1-2/h7-14,27H,1-6H3;4,7H,1-3H2,(H,6,8);1-2H3.

What are the key properties of Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide?

Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide has a molecular weight of 595.72 g/mol, XLogP of 4.47, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-(2-fluoro-4-methylanilino)-4-(N-formyl-3-methylanilino)-N,N,1,5-tetramethyl-6-oxopyridine-3-carboxamide;N-[1-(hydroxymethyl)cyclopropyl]formamide is sourced from PubChem (CID 155743668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155743668 — identifiers, structure, computed properties (public domain)

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