ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate

C16H23N3O4 — CID 5098025

IUPACethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)NCC2CCCO2)c(C)nc1C
InChIInChI=1S/C16H23N3O4/c1-4-22-15(20)13-8-14(11(3)18-10(13)2)19-16(21)17-9-12-6-5-7-23-12/h8,12H,4-7,9H2,1-3H3,(H2,17,19,21)
InChIKeyFVNTYQAPWYVAEZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.18
Rot. Bonds5

About ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate

ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate (PubChem CID 5098025) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate
PubChem CID5098025
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nameethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)NCC2CCCO2)c(C)nc1C
InChIInChI=1S/C16H23N3O4/c1-4-22-15(20)13-8-14(11(3)18-10(13)2)19-16(21)17-9-12-6-5-7-23-12/h8,12H,4-7,9H2,1-3H3,(H2,17,19,21)
InChIKeyFVNTYQAPWYVAEZ-UHFFFAOYSA-N
XLogP2.18
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 41022666
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
dimethyl 5-(oxolan-2-ylmethylcarbamoylamino)benzene-1,3-dicarboxylate
CID 3788789
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
methyl 4-chloro-3-(oxolan-2-ylmethylcarbamoylamino)benzoate
CID 110706569
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate (CID 5098025) is ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)NCC2CCCO2)c(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate?
The InChIKey is FVNTYQAPWYVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-4-22-15(20)13-8-14(11(3)18-10(13)2)19-16(21)17-9-12-6-5-7-23-12/h8,12H,4-7,9H2,1-3H3,(H2,17,19,21).
What are the key properties of ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate?
ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate is sourced from PubChem (CID 5098025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).