ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

C15H20N2O4 — CID 166869398

IUPACethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESC=Cc1cnc(C(=O)OCC)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20N2O4/c1-6-10-8-11(17-14(19)21-15(3,4)5)12(16-9-10)13(18)20-7-2/h6,8-9H,1,7H2,2-5H3,(H,17,19)
InChIKeyNHXIHEUSYYKALE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.25
Rot. Bonds4

About ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (PubChem CID 166869398) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
PubChem CID166869398
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESC=Cc1cnc(C(=O)OCC)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20N2O4/c1-6-10-8-11(17-14(19)21-15(3,4)5)12(16-9-10)13(18)20-7-2/h6,8-9H,1,7H2,2-5H3,(H,17,19)
InChIKeyNHXIHEUSYYKALE-UHFFFAOYSA-N
XLogP3.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
diethyl 5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]pyridine-2,3-dicarboxylate
CID 139788524
ethyl 3-acetamido-5-chloropyridine-2-carboxylate
CID 18980357
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
ethyl 5-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2H-triazole-4-carboxylate
CID 169400231
ethyl 2-[[5-ethenyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]prop-2-enoate
CID 54443463
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
ethyl 3-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate
CID 67067542
ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
CID 156537612
diethyl 2-[[4-[(3E)-hexa-1,3,5-trien-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]methyl]propanedioate
CID 144934309
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (CID 166869398) is ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is C=Cc1cnc(C(=O)OCC)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The InChIKey is NHXIHEUSYYKALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-6-10-8-11(17-14(19)21-15(3,4)5)12(16-9-10)13(18)20-7-2/h6,8-9H,1,7H2,2-5H3,(H,17,19).
What are the key properties of ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 166869398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).