6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid

C20H20N2O3 — CID 120699138

IUPAC6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1cc(C)cc(C2=CCN(C(=O)c3cccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C20H20N2O3/c1-13-10-14(2)12-16(11-13)15-6-8-22(9-7-15)19(23)17-4-3-5-18(21-17)20(24)25/h3-6,10-12H,7-9H2,1-2H3,(H,24,25)
InChIKeyAFPXRXLYLQGDES-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.33
Rot. Bonds3

About 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid

6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 120699138) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID120699138
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1cc(C)cc(C2=CCN(C(=O)c3cccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C20H20N2O3/c1-13-10-14(2)12-16(11-13)15-6-8-22(9-7-15)19(23)17-4-3-5-18(21-17)20(24)25/h3-6,10-12H,7-9H2,1-2H3,(H,24,25)
InChIKeyAFPXRXLYLQGDES-UHFFFAOYSA-N
XLogP3.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120699144
2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977628
[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122138551
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 86849606
[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 86813315
6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
CID 131945130
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 121414958
2-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977486

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid (CID 120699138) is 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid is Cc1cc(C)cc(C2=CCN(C(=O)c3cccc(C(=O)O)n3)CC2)c1.
What is the InChIKey of 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is AFPXRXLYLQGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-14(2)12-16(11-13)15-6-8-22(9-7-15)19(23)17-4-3-5-18(21-17)20(24)25/h3-6,10-12H,7-9H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid?
6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120699138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).