1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

C13H20N2O3 — CID 82949869

IUPAC1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(C(C)CN(C)C)c(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-8-6-11(16)15(9(2)7-14(4)5)10(3)12(8)13(17)18/h6,9H,7H2,1-5H3,(H,17,18)
InChIKeyFTFZQCWVEIWKQX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.29
Rot. Bonds4

About 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (PubChem CID 82949869) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
PubChem CID82949869
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(C(C)CN(C)C)c(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-8-6-11(16)15(9(2)7-14(4)5)10(3)12(8)13(17)18/h6,9H,7H2,1-5H3,(H,17,18)
InChIKeyFTFZQCWVEIWKQX-UHFFFAOYSA-N
XLogP1.29
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 104829790
2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106389677
1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 62640242
2,4-dimethyl-1-(2-methylprop-2-enyl)-6-oxopyridine-3-carboxylic acid
CID 114619096
1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid
CID 114606394
ethyl 1-(3,3-dimethylbutan-2-yl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 104829792
2,4-dimethyl-1-[(1-methylcyclopentyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 63831232
2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
CID 107589800
2-[1-[1-(dimethylamino)propan-2-yl]-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 82940267
1-(3-fluoro-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 79046266
1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 63858503
2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid
CID 114112028

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (CID 82949869) is 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is Cc1cc(=O)n(C(C)CN(C)C)c(C)c1C(=O)O.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is FTFZQCWVEIWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-6-11(16)15(9(2)7-14(4)5)10(3)12(8)13(17)18/h6,9H,7H2,1-5H3,(H,17,18).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82949869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).