N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide

C24H31FN4O4 — CID 146450199

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 146450199) has the molecular formula C24H31FN4O4 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 146450199
• Molecular Formula: C24H31FN4O4
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.23
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)CN3CCOCC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C24H31FN4O4/c1-14-12-18(6-7-19(14)25)27-23(31)20-16(3)21(28(5)17(20)4)22(30)24(32)26-15(2)13-29-8-10-33-11-9-29/h6-7,12,15H,8-11,13H2,1-5H3,(H,26,32)(H,27,31)
• InChIKey: DDJVQNALUJHCGP-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide (CID 146450199) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)CN3CCOCC3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is DDJVQNALUJHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O4/c1-14-12-18(6-7-19(14)25)27-23(31)20-16(3)21(28(5)17(20)4)22(30)24(32)26-15(2)13-29-8-10-33-11-9-29/h6-7,12,15H,8-11,13H2,1-5H3,(H,26,32)(H,27,31).

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146450199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).