[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate

C12H15N3O4 — CID 67866156

IUPAC[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate
SMILESCCNC(=O)NC(=O)c1ccc(COC(C)=O)nc1
InChIInChI=1S/C12H15N3O4/c1-3-13-12(18)15-11(17)9-4-5-10(14-6-9)7-19-8(2)16/h4-6H,3,7H2,1-2H3,(H2,13,15,17,18)
InChIKeyCVZXFQQMXHVUPR-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.60
Rot. Bonds4

About [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate

[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate (PubChem CID 67866156) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate
PubChem CID67866156
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate
SMILESCCNC(=O)NC(=O)c1ccc(COC(C)=O)nc1
InChIInChI=1S/C12H15N3O4/c1-3-13-12(18)15-11(17)9-4-5-10(14-6-9)7-19-8(2)16/h4-6H,3,7H2,1-2H3,(H2,13,15,17,18)
InChIKeyCVZXFQQMXHVUPR-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614903
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate
CID 67866040
N-(ethylcarbamoyl)benzamide
CID 23273840
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370

Frequently Asked Questions

What is the IUPAC name of [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate?
The IUPAC name of [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate (CID 67866156) is [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate.
What is the SMILES notation for [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate?
The canonical SMILES for [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate is CCNC(=O)NC(=O)c1ccc(COC(C)=O)nc1.
What is the InChIKey of [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate?
The InChIKey is CVZXFQQMXHVUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-13-12(18)15-11(17)9-4-5-10(14-6-9)7-19-8(2)16/h4-6H,3,7H2,1-2H3,(H2,13,15,17,18).
What are the key properties of [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate?
[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate has a molecular weight of 265.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate is sourced from PubChem (CID 67866156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).