pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C16H15NO — CID 55111214

IUPACpyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1ccncc1)C1CCCc2ccccc21
InChIInChI=1S/C16H15NO/c18-16(13-8-10-17-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-11,15H,3,5,7H2
InChIKeySJYWHWYEYNCGRC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.38
Rot. Bonds2

About pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 55111214) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID55111214
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Namepyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1ccncc1)C1CCCc2ccccc21
InChIInChI=1S/C16H15NO/c18-16(13-8-10-17-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-11,15H,3,5,7H2
InChIKeySJYWHWYEYNCGRC-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 115373964
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 138005426
(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 116505629
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 62718081
2-(pyridine-4-carbonyl)cyclohexan-1-one
CID 10560075
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 82796890
(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 106644792

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 55111214) is pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(c1ccncc1)C1CCCc2ccccc21.
What is the InChIKey of pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is SJYWHWYEYNCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(13-8-10-17-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-11,15H,3,5,7H2.
What are the key properties of pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 55111214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).