4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane

C20H28N2O3 — CID 158929011

IUPAC4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
SMILESCC.CCC(=O)c1cc(C)cc(C)n1.Cc1cc(C)nc(C(=O)O)c1
InChIInChI=1S/C10H13NO.C8H9NO2.C2H6/c1-4-10(12)9-6-7(2)5-8(3)11-9;1-5-3-6(2)9-7(4-5)8(10)11;1-2/h5-6H,4H2,1-3H3;3-4H,1-2H3,(H,10,11);1-2H3
InChIKeyJIUQKBLRRHQRHB-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.71
Rot. Bonds3

About 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane

4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane (PubChem CID 158929011) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane.

Molecular Properties

Compound Name4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
PubChem CID158929011
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
SMILESCC.CCC(=O)c1cc(C)cc(C)n1.Cc1cc(C)nc(C(=O)O)c1
InChIInChI=1S/C10H13NO.C8H9NO2.C2H6/c1-4-10(12)9-6-7(2)5-8(3)11-9;1-5-3-6(2)9-7(4-5)8(10)11;1-2/h5-6H,4H2,1-3H3;3-4H,1-2H3,(H,10,11);1-2H3
InChIKeyJIUQKBLRRHQRHB-UHFFFAOYSA-N
XLogP4.71
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,6-dimethyl-2-pyridinyl)propan-1-one
CID 20718452
1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
CID 58291736
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 114269512
6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107553644
6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
CID 58418036
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293
2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid
CID 116731360
6-methyl-2-propoxypyrimidine-4-carboxylic acid
CID 55269382
S-tert-butyl 4,6-dimethylpyridine-2-carbothioate
CID 54031356
4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid
CID 141296628
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane?
The IUPAC name of 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane (CID 158929011) is 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane.
What is the SMILES notation for 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane?
The canonical SMILES for 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane is CC.CCC(=O)c1cc(C)cc(C)n1.Cc1cc(C)nc(C(=O)O)c1.
What is the InChIKey of 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane?
The InChIKey is JIUQKBLRRHQRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C8H9NO2.C2H6/c1-4-10(12)9-6-7(2)5-8(3)11-9;1-5-3-6(2)9-7(4-5)8(10)11;1-2/h5-6H,4H2,1-3H3;3-4H,1-2H3,(H,10,11);1-2H3.
What are the key properties of 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane?
4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane has a molecular weight of 344.46 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane is sourced from PubChem (CID 158929011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).