N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C22H23FN6O4 — CID 146450436

About N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 146450436) has the molecular formula C22H23FN6O4 and a molecular weight of 454.46 g/mol. Its IUPAC name is N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 146450436
• Molecular Formula: C22H23FN6O4
• Molecular Weight: 454.46 g/mol
• Exact Mass: 454.18
• IUPAC Name: N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1noc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4cnc(F)c(C)c4)c(C)n3C)CC2)n1
• InChI: InChI=1S/C22H23FN6O4/c1-10-8-14(9-24-18(10)23)26-19(31)15-11(2)16(29(5)12(15)3)17(30)20(32)27-22(6-7-22)21-25-13(4)28-33-21/h8-9H,6-7H2,1-5H3,(H,26,31)(H,27,32)
• InChIKey: YWVPIDIKCITPJV-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 132.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.46
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 146450436) is N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1noc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4cnc(F)c(C)c4)c(C)n3C)CC2)n1.

What is the InChIKey of N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is YWVPIDIKCITPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O4/c1-10-8-14(9-24-18(10)23)26-19(31)15-11(2)16(29(5)12(15)3)17(30)20(32)27-22(6-7-22)21-25-13(4)28-33-21/h8-9H,6-7H2,1-5H3,(H,26,31)(H,27,32).

What are the key properties of N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 454.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146450436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).