[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone

C18H22N2O2 — CID 139998155

IUPAC[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCCNc1ncccc1C(=O)c1cccc(OC(C)(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-5-19-17-15(10-7-11-20-17)16(21)13-8-6-9-14(12-13)22-18(2,3)4/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeyUZNYKYKDJVJLJX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.92
Rot. Bonds5

About [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone

[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone (PubChem CID 139998155) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
PubChem CID139998155
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCCNc1ncccc1C(=O)c1cccc(OC(C)(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-5-19-17-15(10-7-11-20-17)16(21)13-8-6-9-14(12-13)22-18(2,3)4/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeyUZNYKYKDJVJLJX-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998170
[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
CID 139998143
(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998176
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
CID 139998122
[2-(hexylamino)-3-pyridinyl]-(3-propan-2-yloxyphenyl)methanone
CID 139998195
[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998213
[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
CID 139998031
[2-(decylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998224
(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998211
(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone
CID 139998090

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The IUPAC name of [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone (CID 139998155) is [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone.
What is the SMILES notation for [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The canonical SMILES for [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone is CCNc1ncccc1C(=O)c1cccc(OC(C)(C)C)c1.
What is the InChIKey of [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The InChIKey is UZNYKYKDJVJLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-19-17-15(10-7-11-20-17)16(21)13-8-6-9-14(12-13)22-18(2,3)4/h6-12H,5H2,1-4H3,(H,19,20).
What are the key properties of [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone has a molecular weight of 298.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone is sourced from PubChem (CID 139998155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).