[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate

C12H15N3O4 — CID 46790287

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccn1
InChIInChI=1S/C12H15N3O4/c1-3-13-12(18)15-10(16)8(2)19-11(17)9-6-4-5-7-14-9/h4-8H,3H2,1-2H3,(H2,13,15,16,18)
InChIKeyBODNWRMWVCLMTN-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.47
Rot. Bonds4

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate (PubChem CID 46790287) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
PubChem CID46790287
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccn1
InChIInChI=1S/C12H15N3O4/c1-3-13-12(18)15-10(16)8(2)19-11(17)9-6-4-5-7-14-9/h4-8H,3H2,1-2H3,(H2,13,15,16,18)
InChIKeyBODNWRMWVCLMTN-UHFFFAOYSA-N
XLogP0.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7776044
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 30711153
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477427
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46481681
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477368
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 8860466
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927055
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 46688074
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate (CID 46790287) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate is CCNC(=O)NC(=O)C(C)OC(=O)c1ccccn1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The InChIKey is BODNWRMWVCLMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-13-12(18)15-10(16)8(2)19-11(17)9-6-4-5-7-14-9/h4-8H,3H2,1-2H3,(H2,13,15,16,18).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 46790287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).