N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane

C31H38FN5O4 — CID 162531505

About N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane

N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane (PubChem CID 162531505) has the molecular formula C31H38FN5O4 and a molecular weight of 563.67 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane
• PubChem CID: 162531505
• Molecular Formula: C31H38FN5O4
• Molecular Weight: 563.67 g/mol
• Exact Mass: 563.29
• IUPAC Name: N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane
• SMILES: CC.CCC(=O)Nc1cccc(N(C=O)c2c(C(=O)N(C)C3CC3)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1
• InChI: InChI=1S/C29H32FN5O4.C2H6/c1-6-24(37)31-19-8-7-9-21(15-19)35(16-36)26-18(3)28(38)34(5)27(25(26)29(39)33(4)20-11-12-20)32-23-13-10-17(2)14-22(23)30;1-2/h7-10,13-16,20,32H,6,11-12H2,1-5H3,(H,31,37);1-2H3
• InChIKey: KSZHBAUDMIMQCQ-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 103.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.67
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

The IUPAC name of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane (CID 162531505) is N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane.

What is the SMILES notation for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

The canonical SMILES for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane is CC.CCC(=O)Nc1cccc(N(C=O)c2c(C(=O)N(C)C3CC3)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1.

What is the InChIKey of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

The InChIKey is KSZHBAUDMIMQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O4.C2H6/c1-6-24(37)31-19-8-7-9-21(15-19)35(16-36)26-18(3)28(38)34(5)27(25(26)29(39)33(4)20-11-12-20)32-23-13-10-17(2)14-22(23)30;1-2/h7-10,13-16,20,32H,6,11-12H2,1-5H3,(H,31,37);1-2H3.

What are the key properties of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane has a molecular weight of 563.67 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 162531505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).