(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone

C17H17NO2 — CID 114521254

IUPAC(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H17NO2/c1-2-12-6-4-10-18-16(12)17(19)13-5-3-7-15(11-13)20-14-8-9-14/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyTUWMZRCWNVHYKL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds5

About (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone

(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone (PubChem CID 114521254) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
PubChem CID114521254
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H17NO2/c1-2-12-6-4-10-18-16(12)17(19)13-5-3-7-15(11-13)20-14-8-9-14/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyTUWMZRCWNVHYKL-UHFFFAOYSA-N
XLogP3.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464
2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 163931755
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128400

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone (CID 114521254) is (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone is CCc1cccnc1C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
The InChIKey is TUWMZRCWNVHYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-12-6-4-10-18-16(12)17(19)13-5-3-7-15(11-13)20-14-8-9-14/h3-7,10-11,14H,2,8-9H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone is sourced from PubChem (CID 114521254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).