3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid

C18H24N2O4 — CID 159308307

IUPAC3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCCc1cc(CC)c(C)nc1C.O=C(O)C1=CNC=C(C(=O)O)C1
InChIInChI=1S/C11H17N.C7H7NO4/c1-5-10-7-11(6-2)9(4)12-8(10)3;9-6(10)4-1-5(7(11)12)3-8-2-4/h7H,5-6H2,1-4H3;2-3,8H,1H2,(H,9,10)(H,11,12)
InChIKeyLCEXUBQPNFPLOM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.74
Rot. Bonds4

About 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid

3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 159308307) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid
PubChem CID159308307
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCCc1cc(CC)c(C)nc1C.O=C(O)C1=CNC=C(C(=O)O)C1
InChIInChI=1S/C11H17N.C7H7NO4/c1-5-10-7-11(6-2)9(4)12-8(10)3;9-6(10)4-1-5(7(11)12)3-8-2-4/h7H,5-6H2,1-4H3;2-3,8H,1H2,(H,9,10)(H,11,12)
InChIKeyLCEXUBQPNFPLOM-UHFFFAOYSA-N
XLogP2.74
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2,6-dimethylpyridin-3-ol
CID 10329448
2-ethoxycarbonyl-3H-pyrrole-4-carboxylic acid
CID 58278577
1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone
CID 21061076
5-(trifluoromethylsulfanyl)-1,4-dihydropyridine-3-carboxylic acid
CID 175968089
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
4,6-diethylpyridine-2,5-dicarboxylic acid
CID 67650686
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
3-ethyl-2-methylquinolin-7-ol
CID 174861386
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid
CID 114280073
2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid
CID 57165626

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid (CID 159308307) is 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid is CCc1cc(CC)c(C)nc1C.O=C(O)C1=CNC=C(C(=O)O)C1.
What is the InChIKey of 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is LCEXUBQPNFPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C7H7NO4/c1-5-10-7-11(6-2)9(4)12-8(10)3;9-6(10)4-1-5(7(11)12)3-8-2-4/h7H,5-6H2,1-4H3;2-3,8H,1H2,(H,9,10)(H,11,12).
What are the key properties of 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid?
3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,6-dimethylpyridine;1,4-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 159308307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).