4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

C19H19N3O4 — CID 18956972

IUPAC4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(-n3ccnc3)c2)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C19H19N3O4/c1-11-15(18(23)24)17(16(19(25)26)12(2)21(11)3)13-5-4-6-14(9-13)22-8-7-20-10-22/h4-10,17H,1-3H3,(H,23,24)(H,25,26)
InChIKeyJYUQCOWFDJBDNN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.62
Rot. Bonds4

About 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 18956972) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
PubChem CID18956972
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(-n3ccnc3)c2)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C19H19N3O4/c1-11-15(18(23)24)17(16(19(25)26)12(2)21(11)3)13-5-4-6-14(9-13)22-8-7-20-10-22/h4-10,17H,1-3H3,(H,23,24)(H,25,26)
InChIKeyJYUQCOWFDJBDNN-UHFFFAOYSA-N
XLogP2.62
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxycarbonyl-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;hydrate
CID 139615122
3-O-ethyl 5-O-methyl 4-(3-imidazol-1-ylphenyl)-2-methoxy-1,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 157264333
4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
CID 21411660
1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole
CID 10013545
methyl 3-acetyl-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate
CID 91929337
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine
CID 18956985
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
1-(3-tert-butylphenyl)imidazole
CID 59332766
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (CID 18956972) is 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2cccc(-n3ccnc3)c2)C(C(=O)O)=C(C)N1C.
What is the InChIKey of 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is JYUQCOWFDJBDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-15(18(23)24)17(16(19(25)26)12(2)21(11)3)13-5-4-6-14(9-13)22-8-7-20-10-22/h4-10,17H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 18956972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).