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

C30H40N6O2 — CID 170948546

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

1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 170948546) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 170948546
• Molecular Formula: C30H40N6O2
• Molecular Weight: 516.69 g/mol
• Exact Mass: 516.32
• IUPAC Name: 1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• SMILES: CC(C)CNCc1cc(C(=O)Nc2cccc(C3(c4nncn4C)CC(C)(C)C3)c2)c(=O)n(CC2CC2)c1
• InChI: InChI=1S/C30H40N6O2/c1-20(2)13-31-14-22-11-25(27(38)36(16-22)15-21-9-10-21)26(37)33-24-8-6-7-23(12-24)30(17-29(3,4)18-30)28-34-32-19-35(28)5/h6-8,11-12,16,19-21,31H,9-10,13-15,17-18H2,1-5H3,(H,33,37)
• InChIKey: RFLCHANAGRRZJM-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.69
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (CID 170948546) is 1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for 1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is CC(C)CNCc1cc(C(=O)Nc2cccc(C3(c4nncn4C)CC(C)(C)C3)c2)c(=O)n(CC2CC2)c1.

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

The InChIKey is RFLCHANAGRRZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2/c1-20(2)13-31-14-22-11-25(27(38)36(16-22)15-21-9-10-21)26(37)33-24-8-6-7-23(12-24)30(17-29(3,4)18-30)28-34-32-19-35(28)5/h6-8,11-12,16,19-21,31H,9-10,13-15,17-18H2,1-5H3,(H,33,37).

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

1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 516.69 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170948546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).