4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid

C15H21NO4 — CID 65163089

IUPAC4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCCC2CCCO2)c(=O)c1C(=O)O
InChIInChI=1S/C15H21NO4/c1-10-9-11(2)16(14(17)13(10)15(18)19)7-3-5-12-6-4-8-20-12/h9,12H,3-8H2,1-2H3,(H,18,19)
InChIKeyNYODMYNNZZOTFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds5

About 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid

4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid (PubChem CID 65163089) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
PubChem CID65163089
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCCC2CCCO2)c(=O)c1C(=O)O
InChIInChI=1S/C15H21NO4/c1-10-9-11(2)16(14(17)13(10)15(18)19)7-3-5-12-6-4-8-20-12/h9,12H,3-8H2,1-2H3,(H,18,19)
InChIKeyNYODMYNNZZOTFJ-UHFFFAOYSA-N
XLogP2.12
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-[2-(oxan-2-yl)ethyl]pyrrole-3-carboxylic acid
CID 114135752
2-methyl-1-[3-(oxolan-2-yl)propyl]indole
CID 65165792
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
CID 65162534
2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid
CID 117127697
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4,6-dimethyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124859382
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
1-[3-(oxolan-2-yl)propyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642707
4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid
CID 62862101
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid (CID 65163089) is 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid is Cc1cc(C)n(CCCC2CCCO2)c(=O)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid?
The InChIKey is NYODMYNNZZOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-9-11(2)16(14(17)13(10)15(18)19)7-3-5-12-6-4-8-20-12/h9,12H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid?
4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 65163089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).