3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid

C12H16N4O4 — CID 104743271

IUPAC3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H16N4O4/c1-15(2)9(17)7-16(3)12(20)14-8-5-4-6-13-10(8)11(18)19/h4-6H,7H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyKAVDGABUAGCLEB-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.33
Rot. Bonds4

About 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid

3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743271) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743271
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H16N4O4/c1-15(2)9(17)7-16(3)12(20)14-8-5-4-6-13-10(8)11(18)19/h4-6H,7H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyKAVDGABUAGCLEB-UHFFFAOYSA-N
XLogP0.33
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid (CID 104743271) is 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid is CN(C)C(=O)CN(C)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is KAVDGABUAGCLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-15(2)9(17)7-16(3)12(20)14-8-5-4-6-13-10(8)11(18)19/h4-6H,7H2,1-3H3,(H,14,20)(H,18,19).
What are the key properties of 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).