1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

C13H20N2O3 — CID 62640242

IUPAC1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCCN(C)CCn1c(C)c(C(=O)O)c(C)cc1=O
InChIInChI=1S/C13H20N2O3/c1-5-14(4)6-7-15-10(3)12(13(17)18)9(2)8-11(15)16/h8H,5-7H2,1-4H3,(H,17,18)
InChIKeyDFPRMCDVLRWUNG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.12
Rot. Bonds5

About 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (PubChem CID 62640242) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
PubChem CID62640242
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCCN(C)CCn1c(C)c(C(=O)O)c(C)cc1=O
InChIInChI=1S/C13H20N2O3/c1-5-14(4)6-7-15-10(3)12(13(17)18)9(2)8-11(15)16/h8H,5-7H2,1-4H3,(H,17,18)
InChIKeyDFPRMCDVLRWUNG-UHFFFAOYSA-N
XLogP1.12
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (CID 62640242) is 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is CCN(C)CCn1c(C)c(C(=O)O)c(C)cc1=O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is DFPRMCDVLRWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-14(4)6-7-15-10(3)12(13(17)18)9(2)8-11(15)16/h8H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62640242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).