1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid

C19H19NO2 — CID 82362222

IUPAC1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c21-19(22)17-12-7-13-20(14-17)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18H,7,13-14H2,(H,21,22)
InChIKeyBYLGLALYFYTSJM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.49
Rot. Bonds4

About 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid

1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 82362222) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID82362222
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c21-19(22)17-12-7-13-20(14-17)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18H,7,13-14H2,(H,21,22)
InChIKeyBYLGLALYFYTSJM-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;2-[(2S)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;methane;bis(rhodium)
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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 82362222) is 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid is O=C(O)C1=CCCN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is BYLGLALYFYTSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(22)17-12-7-13-20(14-17)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18H,7,13-14H2,(H,21,22).
What are the key properties of 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 82362222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).