1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C14H17NO2 — CID 117003167

IUPAC1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCc1ccc(N2CC=C(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-10-3-4-13(11(2)9-10)15-7-5-12(6-8-15)14(16)17/h3-5,9H,6-8H2,1-2H3,(H,16,17)
InChIKeyRHFMKQNBDWZYSF-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.52
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 117003167) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID117003167
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCc1ccc(N2CC=C(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-10-3-4-13(11(2)9-10)15-7-5-12(6-8-15)14(16)17/h3-5,9H,6-8H2,1-2H3,(H,16,17)
InChIKeyRHFMKQNBDWZYSF-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003256
[1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
CID 117003417
1-(2,4-dimethylphenyl)pyrrolidin-3-one
CID 23052705
1-(3-acetylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003209
3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
2-[1-(2,4-dimethylphenyl)pyrrolidin-3-ylidene]propanedinitrile
CID 23052853
5-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 114896035
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid
CID 82285364
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 117003167) is 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is Cc1ccc(N2CC=C(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is RHFMKQNBDWZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-3-4-13(11(2)9-10)15-7-5-12(6-8-15)14(16)17/h3-5,9H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 117003167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).