1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide

C16H23N5O2 — CID 126446161

About 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide

1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide (PubChem CID 126446161) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide
• PubChem CID: 126446161
• Molecular Formula: C16H23N5O2
• Molecular Weight: 317.39 g/mol
• Exact Mass: 317.19
• IUPAC Name: 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide
• SMILES: Cc1cc(=O)cc(C(=O)N[C@H](CC(C)C)c2ncnn2C)n1C
• InChI: InChI=1S/C16H23N5O2/c1-10(2)6-13(15-17-9-18-21(15)5)19-16(23)14-8-12(22)7-11(3)20(14)4/h7-10,13H,6H2,1-5H3,(H,19,23)/t13-/m1/s1
• InChIKey: VOVHFSNVAGRZKG-CYBMUJFWSA-N
• XLogP: 1.34
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.39
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide?

The IUPAC name of 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide (CID 126446161) is 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide.

What is the SMILES notation for 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide?

The canonical SMILES for 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)N[C@H](CC(C)C)c2ncnn2C)n1C.

What is the InChIKey of 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide?

The InChIKey is VOVHFSNVAGRZKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(2)6-13(15-17-9-18-21(15)5)19-16(23)14-8-12(22)7-11(3)20(14)4/h7-10,13H,6H2,1-5H3,(H,19,23)/t13-/m1/s1.

What are the key properties of 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide?

1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 126446161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).