[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

C11H13N3O4 — CID 30344335

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(C)nc1
InChIInChI=1S/C11H13N3O4/c1-7-3-4-8(5-13-7)10(16)18-6-9(15)14-11(17)12-2/h3-5H,6H2,1-2H3,(H2,12,14,15,17)
InChIKeyNGCAGODQTSJDBG-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.00
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 30344335) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID30344335
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(C)nc1
InChIInChI=1S/C11H13N3O4/c1-7-3-4-8(5-13-7)10(16)18-6-9(15)14-11(17)12-2/h3-5H,6H2,1-2H3,(H2,12,14,15,17)
InChIKeyNGCAGODQTSJDBG-UHFFFAOYSA-N
XLogP0.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2628770
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-methylpyridine-3-carboxylate
CID 71823490
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18149612
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507436
[2-(methylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2635286
[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172509
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172090
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 42936092

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 30344335) is [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is CNC(=O)NC(=O)COC(=O)c1ccc(C)nc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is NGCAGODQTSJDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-7-3-4-8(5-13-7)10(16)18-6-9(15)14-11(17)12-2/h3-5H,6H2,1-2H3,(H2,12,14,15,17).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 251.24 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 30344335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).