1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one

C22H28N2O2 — CID 176578205

IUPAC1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
SMILESCCc1cccc(-c2cnc(C(=O)C(C)C)c(NC3(CC)COC3)c2)c1
InChIInChI=1S/C22H28N2O2/c1-5-16-8-7-9-17(10-16)18-11-19(24-22(6-2)13-26-14-22)20(23-12-18)21(25)15(3)4/h7-12,15,24H,5-6,13-14H2,1-4H3
InChIKeyVLQIZGOBBJTYFE-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.74
Rot. Bonds7

About 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one

1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one (PubChem CID 176578205) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
PubChem CID176578205
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
SMILESCCc1cccc(-c2cnc(C(=O)C(C)C)c(NC3(CC)COC3)c2)c1
InChIInChI=1S/C22H28N2O2/c1-5-16-8-7-9-17(10-16)18-11-19(24-22(6-2)13-26-14-22)20(23-12-18)21(25)15(3)4/h7-12,15,24H,5-6,13-14H2,1-4H3
InChIKeyVLQIZGOBBJTYFE-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one (CID 176578205) is 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one is CCc1cccc(-c2cnc(C(=O)C(C)C)c(NC3(CC)COC3)c2)c1.
What is the InChIKey of 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one?
The InChIKey is VLQIZGOBBJTYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-16-8-7-9-17(10-16)18-11-19(24-22(6-2)13-26-14-22)20(23-12-18)21(25)15(3)4/h7-12,15,24H,5-6,13-14H2,1-4H3.
What are the key properties of 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one?
1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one has a molecular weight of 352.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one is sourced from PubChem (CID 176578205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).