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

C11H12N2O5 — CID 63614269

IUPAC2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c1-13(6-8(14)18-2)10(15)9-7(11(16)17)4-3-5-12-9/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyHNHDYUQLJWPHJN-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.02
Rot. Bonds4

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

2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614269) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63614269
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c1-13(6-8(14)18-2)10(15)9-7(11(16)17)4-3-5-12-9/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyHNHDYUQLJWPHJN-UHFFFAOYSA-N
XLogP0.02
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
CID 159109262
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
CID 11152005
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid (CID 63614269) is 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid is COC(=O)CN(C)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is HNHDYUQLJWPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-13(6-8(14)18-2)10(15)9-7(11(16)17)4-3-5-12-9/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).