6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

C21H24N4O3 — CID 170701165

About 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 170701165) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
• PubChem CID: 170701165
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
• SMILES: CCc1ccc(Oc2ncc(C(=O)N[C@H](C)CO)cc2-c2ccn(C)n2)cc1
• InChI: InChI=1S/C21H24N4O3/c1-4-15-5-7-17(8-6-15)28-21-18(19-9-10-25(3)24-19)11-16(12-22-21)20(27)23-14(2)13-26/h5-12,14,26H,4,13H2,1-3H3,(H,23,27)/t14-/m1/s1
• InChIKey: LQXWRIPJSSUWKL-CQSZACIVSA-N
• XLogP: 2.95
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

The IUPAC name of 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (CID 170701165) is 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is CCc1ccc(Oc2ncc(C(=O)N[C@H](C)CO)cc2-c2ccn(C)n2)cc1.

What is the InChIKey of 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

The InChIKey is LQXWRIPJSSUWKL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-15-5-7-17(8-6-15)28-21-18(19-9-10-25(3)24-19)11-16(12-22-21)20(27)23-14(2)13-26/h5-12,14,26H,4,13H2,1-3H3,(H,23,27)/t14-/m1/s1.

What are the key properties of 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?

6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 170701165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).