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

C29H32FN5O4 — CID 155743935

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

N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (PubChem CID 155743935) has the molecular formula C29H32FN5O4 and a molecular weight of 533.60 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• PubChem CID: 155743935
• Molecular Formula: C29H32FN5O4
• Molecular Weight: 533.60 g/mol
• Exact Mass: 533.24
• IUPAC Name: N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• SMILES: Cc1ccc(Nc2c(C(=O)N(C)C3CC3)c(N(C=O)c3cccc(NC4COC4)c3)c(C)c(=O)n2C)c(F)c1
• InChI: InChI=1S/C29H32FN5O4/c1-17-8-11-24(23(30)12-17)32-27-25(29(38)33(3)21-9-10-21)26(18(2)28(37)34(27)4)35(16-36)22-7-5-6-19(13-22)31-20-14-39-15-20/h5-8,11-13,16,20-21,31-32H,9-10,14-15H2,1-4H3
• InChIKey: ILMVYOAYFVWRNP-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.60
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
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 N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (CID 155743935) is N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is Cc1ccc(Nc2c(C(=O)N(C)C3CC3)c(N(C=O)c3cccc(NC4COC4)c3)c(C)c(=O)n2C)c(F)c1.

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

The InChIKey is ILMVYOAYFVWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O4/c1-17-8-11-24(23(30)12-17)32-27-25(29(38)33(3)21-9-10-21)26(18(2)28(37)34(27)4)35(16-36)22-7-5-6-19(13-22)31-20-14-39-15-20/h5-8,11-13,16,20-21,31-32H,9-10,14-15H2,1-4H3.

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

N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 533.60 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(oxetan-3-ylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155743935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).