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

C14H20N2O4 — CID 62861236

IUPAC4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCC(=O)NC(C)C)c(=O)c1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-8(2)15-11(17)5-6-16-10(4)7-9(3)12(13(16)18)14(19)20/h7-8H,5-6H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyOOCOHOCSOPPQFF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.08
Rot. Bonds5

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

4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid (PubChem CID 62861236) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid
PubChem CID62861236
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCC(=O)NC(C)C)c(=O)c1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-8(2)15-11(17)5-6-16-10(4)7-9(3)12(13(16)18)14(19)20/h7-8H,5-6H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyOOCOHOCSOPPQFF-UHFFFAOYSA-N
XLogP1.08
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 62859788
1-hept-6-enyl-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 107007551
3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide
CID 113411041
4,6-dimethyl-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 62874526
4,6-dimethyl-2-oxo-1-(2-phenylsulfanylethyl)pyridine-3-carboxylic acid
CID 79228040
4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid
CID 62862101
4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
CID 65163089
4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 62861933
2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 43421967
1-[3-oxo-3-(propan-2-ylamino)propyl]indole-2-carboxylic acid
CID 62627336
3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 63799905
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77091531

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid (CID 62861236) is 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid is Cc1cc(C)n(CCC(=O)NC(C)C)c(=O)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid?
The InChIKey is OOCOHOCSOPPQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8(2)15-11(17)5-6-16-10(4)7-9(3)12(13(16)18)14(19)20/h7-8H,5-6H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid?
4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 62861236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).