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

C14H15NO4 — CID 141365416

IUPAC4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESCc1ccc(C2=C(C(=O)O)CN(C(=O)O)CC2)cc1
InChIInChI=1S/C14H15NO4/c1-9-2-4-10(5-3-9)11-6-7-15(14(18)19)8-12(11)13(16)17/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyLXYOABDVLKXXTL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.22
Rot. Bonds2

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

4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (PubChem CID 141365416) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
PubChem CID141365416
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESCc1ccc(C2=C(C(=O)O)CN(C(=O)O)CC2)cc1
InChIInChI=1S/C14H15NO4/c1-9-2-4-10(5-3-9)11-6-7-15(14(18)19)8-12(11)13(16)17/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyLXYOABDVLKXXTL-UHFFFAOYSA-N
XLogP2.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 91248689
5-phenyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 91432306
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 22116092
5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175051915
8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175983212
4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 91475872
carbonic acid;1,4-xylene
CID 89415214
1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
CID 160654560
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
4-(4-chlorophenyl)-5-[[4-(4-ethoxycarbonylphenyl)piperazin-1-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155047586
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The IUPAC name of 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (CID 141365416) is 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is Cc1ccc(C2=C(C(=O)O)CN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The InChIKey is LXYOABDVLKXXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-2-4-10(5-3-9)11-6-7-15(14(18)19)8-12(11)13(16)17/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 141365416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).