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

C11H13N3O5 — CID 104743126

IUPAC3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H13N3O5/c1-14(6-8(15)19-2)11(18)13-7-4-3-5-12-9(7)10(16)17/h3-5H,6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyYUDHLEODLPHUTN-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.42
Rot. Bonds4

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

3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743126) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743126
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H13N3O5/c1-14(6-8(15)19-2)11(18)13-7-4-3-5-12-9(7)10(16)17/h3-5H,6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyYUDHLEODLPHUTN-UHFFFAOYSA-N
XLogP0.42
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
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
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
CID 159109262
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
CID 113447517
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid (CID 104743126) is 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid is COC(=O)CN(C)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is YUDHLEODLPHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-14(6-8(15)19-2)11(18)13-7-4-3-5-12-9(7)10(16)17/h3-5H,6H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid?
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).