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

C15H14N2O — CID 116549767

IUPACpyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(c1cccnc1)C1Cc2ccccc2CN1
InChIInChI=1S/C15H14N2O/c18-15(13-6-3-7-16-9-13)14-8-11-4-1-2-5-12(11)10-17-14/h1-7,9,14,17H,8,10H2
InChIKeyKPAQRNHYKKJMQW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.98
Rot. Bonds2

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

pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 116549767) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID116549767
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Namepyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(c1cccnc1)C1Cc2ccccc2CN1
InChIInChI=1S/C15H14N2O/c18-15(13-6-3-7-16-9-13)14-8-11-4-1-2-5-12(11)10-17-14/h1-7,9,14,17H,8,10H2
InChIKeyKPAQRNHYKKJMQW-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178129
N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43616172
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
(3S)-N-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107594914
N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 83167588
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658
pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
CID 141122690
(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106934992
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)prop-2-en-1-one
CID 116549750
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549741
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 116549767) is pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is O=C(c1cccnc1)C1Cc2ccccc2CN1.
What is the InChIKey of pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is KPAQRNHYKKJMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15(13-6-3-7-16-9-13)14-8-11-4-1-2-5-12(11)10-17-14/h1-7,9,14,17H,8,10H2.
What are the key properties of pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 116549767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).