[6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C21H26N6O2 — CID 51903482

About [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 51903482) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
• PubChem CID: 51903482
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
• SMILES: CN(Cc1ccon1)c1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1
• InChI: InChI=1S/C21H26N6O2/c1-25(16-18-9-14-29-24-18)20-7-6-17(15-22-20)21(28)27-12-3-2-5-19(27)8-13-26-11-4-10-23-26/h4,6-7,9-11,14-15,19H,2-3,5,8,12-13,16H2,1H3/t19-/m0/s1
• InChIKey: VMIGHWKIBZIJAZ-IBGZPJMESA-N
• XLogP: 2.99
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?

The IUPAC name of [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 51903482) is [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

What is the SMILES notation for [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?

The canonical SMILES for [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is CN(Cc1ccon1)c1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1.

What is the InChIKey of [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?

The InChIKey is VMIGHWKIBZIJAZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25(16-18-9-14-29-24-18)20-7-6-17(15-22-20)21(28)27-12-3-2-5-19(27)8-13-26-11-4-10-23-26/h4,6-7,9-11,14-15,19H,2-3,5,8,12-13,16H2,1H3/t19-/m0/s1.

What are the key properties of [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?

[6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 51903482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).