[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone

C18H22N2O2 — CID 139998143

IUPAC[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
SMILESCCNc1ncccc1C(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-4-19-18-16(9-6-10-20-18)17(21)14-7-5-8-15(11-14)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,19,20)
InChIKeyKWSYPVFPMVPYKN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.78
Rot. Bonds7

About [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone

[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone (PubChem CID 139998143) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
PubChem CID139998143
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
SMILESCCNc1ncccc1C(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-4-19-18-16(9-6-10-20-18)17(21)14-7-5-8-15(11-14)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,19,20)
InChIKeyKWSYPVFPMVPYKN-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155
(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998176
[2-(hexylamino)-3-pyridinyl]-(3-propan-2-yloxyphenyl)methanone
CID 139998195
(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
CID 139998122
(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998211
[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998170
[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
CID 139998031
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998213
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone (CID 139998143) is [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone is CCNc1ncccc1C(=O)c1cccc(OCC(C)C)c1.
What is the InChIKey of [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone?
The InChIKey is KWSYPVFPMVPYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-19-18-16(9-6-10-20-18)17(21)14-7-5-8-15(11-14)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,19,20).
What are the key properties of [2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone?
[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone has a molecular weight of 298.39 g/mol, XLogP of 3.78, 7 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-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 139998143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).