5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide

C13H16FN5O — CID 125442540

About 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide

5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide (PubChem CID 125442540) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
• PubChem CID: 125442540
• Molecular Formula: C13H16FN5O
• Molecular Weight: 277.30 g/mol
• Exact Mass: 277.13
• IUPAC Name: 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)c1cncc(F)c1)c1ncnn1C
• InChI: InChI=1S/C13H16FN5O/c1-8(2)11(12-16-7-17-19(12)3)18-13(20)9-4-10(14)6-15-5-9/h4-8,11H,1-3H3,(H,18,20)/t11-/m1/s1
• InChIKey: GOBUMJDNLAKOIY-LLVKDONJSA-N
• XLogP: 1.48
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.30
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide (CID 125442540) is 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide is CC(C)[C@@H](NC(=O)c1cncc(F)c1)c1ncnn1C.

What is the InChIKey of 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide?

The InChIKey is GOBUMJDNLAKOIY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-8(2)11(12-16-7-17-19(12)3)18-13(20)9-4-10(14)6-15-5-9/h4-8,11H,1-3H3,(H,18,20)/t11-/m1/s1.

What are the key properties of 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide?

5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 125442540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).