2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid

C11H13N3O4 — CID 43452983

IUPAC2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCNC(=O)CNC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C11H13N3O4/c1-6-7(11(17)18)3-4-8(14-6)10(16)13-5-9(15)12-2/h3-4H,5H2,1-2H3,(H,12,15)(H,13,16)(H,17,18)
InChIKeyDUVCRAJVOKBPBC-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.44
Rot. Bonds4

About 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid

2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43452983) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID43452983
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCNC(=O)CNC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C11H13N3O4/c1-6-7(11(17)18)3-4-8(14-6)10(16)13-5-9(15)12-2/h3-4H,5H2,1-2H3,(H,12,15)(H,13,16)(H,17,18)
InChIKeyDUVCRAJVOKBPBC-UHFFFAOYSA-N
XLogP-0.44
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63824354
2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63834438
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62850825
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529
2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63331339
2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 64523559
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61466256
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid (CID 43452983) is 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid is CNC(=O)CNC(=O)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is DUVCRAJVOKBPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-6-7(11(17)18)3-4-8(14-6)10(16)13-5-9(15)12-2/h3-4H,5H2,1-2H3,(H,12,15)(H,13,16)(H,17,18).
What are the key properties of 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43452983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).