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

C10H11N3O4 — CID 43427330

IUPAC6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCNC(=O)CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H11N3O4/c1-11-8(14)5-13-9(15)7-3-2-6(4-12-7)10(16)17/h2-4H,5H2,1H3,(H,11,14)(H,13,15)(H,16,17)
InChIKeyUYMQCRJBECIQLM-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.74
Rot. Bonds4

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

6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43427330) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID43427330
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCNC(=O)CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H11N3O4/c1-11-8(14)5-13-9(15)7-3-2-6(4-12-7)10(16)17/h2-4H,5H2,1H3,(H,11,14)(H,13,15)(H,16,17)
InChIKeyUYMQCRJBECIQLM-UHFFFAOYSA-N
XLogP-0.74
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 43414345
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43452983
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 106704146
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114701610

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid (CID 43427330) is 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid is CNC(=O)CNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is UYMQCRJBECIQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-11-8(14)5-13-9(15)7-3-2-6(4-12-7)10(16)17/h2-4H,5H2,1H3,(H,11,14)(H,13,15)(H,16,17).
What are the key properties of 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid?
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43427330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).