N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide

C20H30N6O2 — CID 120644075

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide (PubChem CID 120644075) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide
• PubChem CID: 120644075
• Molecular Formula: C20H30N6O2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.24
• IUPAC Name: N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide
• SMILES: Cn1nc(C2CCNCC2)nc1NC(=O)CCc1cccc(OC(C)(C)C)n1
• InChI: InChI=1S/C20H30N6O2/c1-20(2,3)28-17-7-5-6-15(22-17)8-9-16(27)23-19-24-18(25-26(19)4)14-10-12-21-13-11-14/h5-7,14,21H,8-13H2,1-4H3,(H,23,24,25,27)
• InChIKey: SUGPSNAIFAUVBE-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide?

The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide (CID 120644075) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide.

What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide?

The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide is Cn1nc(C2CCNCC2)nc1NC(=O)CCc1cccc(OC(C)(C)C)n1.

What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide?

The InChIKey is SUGPSNAIFAUVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-20(2,3)28-17-7-5-6-15(22-17)8-9-16(27)23-19-24-18(25-26(19)4)14-10-12-21-13-11-14/h5-7,14,21H,8-13H2,1-4H3,(H,23,24,25,27).

What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide?

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide has a molecular weight of 386.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide is sourced from PubChem (CID 120644075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).