1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid

C14H19NO4 — CID 114207554

IUPAC1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1C1CCOC(C)(C)C1
InChIInChI=1S/C14H19NO4/c1-9-6-12(16)11(13(17)18)8-15(9)10-4-5-19-14(2,3)7-10/h6,8,10H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyHXNKEFDFYUEFOA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.99
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid

1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 114207554) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID114207554
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1C1CCOC(C)(C)C1
InChIInChI=1S/C14H19NO4/c1-9-6-12(16)11(13(17)18)8-15(9)10-4-5-19-14(2,3)7-10/h6,8,10H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyHXNKEFDFYUEFOA-UHFFFAOYSA-N
XLogP1.99
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid 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-(2,2-dimethyloxan-4-yl)-6-oxopyridine-3-carboxylic acid
CID 83039302
1-(2,2-dimethyloxan-4-yl)indole-2-carboxylic acid
CID 13449730
1-(2,2-dimethyloxan-4-yl)benzotriazole-4-carboxylic acid
CID 83028566
3-(2,2-dimethyloxan-4-yl)benzotriazole-4-carboxylic acid
CID 115932069
1-(2,2-dimethyloxan-4-yl)azepane-2-carboxylic acid
CID 65069518
3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83028716
1-[(3S)-2,2-dimethyloxolan-3-yl]-6-[5-methoxy-4-(3-methoxypropoxy)-2-methylphenyl]-4-oxopyridine-3-carboxylic acid
CID 166734146
2-[1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067859
3-(2,2-dimethyloxan-4-yl)-1H-imidazole-2-thione
CID 83028263
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(4S)-2,2-dimethyloxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
CID 169126692
2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-oxoisoquinoline-4-carboxamide
CID 95859443
4-[(4R)-1-[(4S)-2,2-dimethyloxan-4-yl]-3,7-dioxo-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid
CID 97426447

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid (CID 114207554) is 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)cn1C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is HXNKEFDFYUEFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-12(16)11(13(17)18)8-15(9)10-4-5-19-14(2,3)7-10/h6,8,10H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid?
1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 114207554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).