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

C30H39FN6O2 — CID 170948741

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

1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 170948741) has the molecular formula C30H39FN6O2 and a molecular weight of 534.68 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 170948741
• Molecular Formula: C30H39FN6O2
• Molecular Weight: 534.68 g/mol
• Exact Mass: 534.31
• IUPAC Name: 1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• SMILES: CC(C)CNCc1cc(C(=O)Nc2cc(C3(c4nncn4C)CC(C)(C)C3)ccc2F)c(=O)n(CC2CC2)c1
• InChI: InChI=1S/C30H39FN6O2/c1-19(2)12-32-13-21-10-23(27(39)37(15-21)14-20-6-7-20)26(38)34-25-11-22(8-9-24(25)31)30(16-29(3,4)17-30)28-35-33-18-36(28)5/h8-11,15,18-20,32H,6-7,12-14,16-17H2,1-5H3,(H,34,38)
• InChIKey: UFKDKOJVJOKONK-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.68
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (CID 170948741) is 1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for 1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is CC(C)CNCc1cc(C(=O)Nc2cc(C3(c4nncn4C)CC(C)(C)C3)ccc2F)c(=O)n(CC2CC2)c1.

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

The InChIKey is UFKDKOJVJOKONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN6O2/c1-19(2)12-32-13-21-10-23(27(39)37(15-21)14-20-6-7-20)26(38)34-25-11-22(8-9-24(25)31)30(16-29(3,4)17-30)28-35-33-18-36(28)5/h8-11,15,18-20,32H,6-7,12-14,16-17H2,1-5H3,(H,34,38).

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

1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 534.68 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170948741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).