4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid

C20H19NO5 — CID 91248689

IUPAC4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESO=C(O)C1=C(c2ccc(OCc3ccccc3)cc2)CCN(C(=O)O)C1
InChIInChI=1S/C20H19NO5/c22-19(23)18-12-21(20(24)25)11-10-17(18)15-6-8-16(9-7-15)26-13-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,23)(H,24,25)
InChIKeyHBPVRVRYGJIPBM-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.49
Rot. Bonds5

About 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid

4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (PubChem CID 91248689) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
PubChem CID91248689
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESO=C(O)C1=C(c2ccc(OCc3ccccc3)cc2)CCN(C(=O)O)C1
InChIInChI=1S/C20H19NO5/c22-19(23)18-12-21(20(24)25)11-10-17(18)15-6-8-16(9-7-15)26-13-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,23)(H,24,25)
InChIKeyHBPVRVRYGJIPBM-UHFFFAOYSA-N
XLogP3.49
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
4-phenylmethoxybenzoic acid
CID 68896574
3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118207363
(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601
1-O-tert-butyl 5-O-ethyl 4-(3-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 67329648
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylmethoxyphenyl)methanone
CID 27515102
3-hydroxy-4-(4-phenylmethoxyphenyl)sulfanylpyrrolidine-1-carboxylic acid
CID 18425839
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175482125

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (CID 91248689) is 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is O=C(O)C1=C(c2ccc(OCc3ccccc3)cc2)CCN(C(=O)O)C1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The InChIKey is HBPVRVRYGJIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-19(23)18-12-21(20(24)25)11-10-17(18)15-6-8-16(9-7-15)26-13-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,23)(H,24,25).
What are the key properties of 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 91248689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).