N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide

C28H37FN6O2 — CID 170948509

About N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide

N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 170948509) has the molecular formula C28H37FN6O2 and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 170948509
• Molecular Formula: C28H37FN6O2
• Molecular Weight: 508.64 g/mol
• Exact Mass: 508.30
• IUPAC Name: N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• SMILES: CCn1cc(CNCC(C)C)cc(C(=O)Nc2cc(C3(c4nncn4C)CC(C)(C)C3)ccc2F)c1=O
• InChI: InChI=1S/C28H37FN6O2/c1-7-35-14-19(13-30-12-18(2)3)10-21(25(35)37)24(36)32-23-11-20(8-9-22(23)29)28(15-27(4,5)16-28)26-33-31-17-34(26)6/h8-11,14,17-18,30H,7,12-13,15-16H2,1-6H3,(H,32,36)
• InChIKey: ULMGWOWFPCJRHW-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.64
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (CID 170948509) is N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is CCn1cc(CNCC(C)C)cc(C(=O)Nc2cc(C3(c4nncn4C)CC(C)(C)C3)ccc2F)c1=O.

What is the InChIKey of N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is ULMGWOWFPCJRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN6O2/c1-7-35-14-19(13-30-12-18(2)3)10-21(25(35)37)24(36)32-23-11-20(8-9-22(23)29)28(15-27(4,5)16-28)26-33-31-17-34(26)6/h8-11,14,17-18,30H,7,12-13,15-16H2,1-6H3,(H,32,36).

What are the key properties of N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 508.64 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-1-ethyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170948509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).