ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate

C14H19N3O2 — CID 169237726

IUPACethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate
SMILESCC.COC(=O)c1c(C)c(-c2cccnc2)cn1N
InChIInChI=1S/C12H13N3O2.C2H6/c1-8-10(9-4-3-5-14-6-9)7-15(13)11(8)12(16)17-2;1-2/h3-7H,13H2,1-2H3;1-2H3
InChIKeyUWVQXPUHPZOWCQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.39
Rot. Bonds2

About ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate

ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate (PubChem CID 169237726) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate
PubChem CID169237726
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate
SMILESCC.COC(=O)c1c(C)c(-c2cccnc2)cn1N
InChIInChI=1S/C12H13N3O2.C2H6/c1-8-10(9-4-3-5-14-6-9)7-15(13)11(8)12(16)17-2;1-2/h3-7H,13H2,1-2H3;1-2H3
InChIKeyUWVQXPUHPZOWCQ-UHFFFAOYSA-N
XLogP2.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 2,3,5,6-tetrafluoro-4-pyridin-3-ylbenzoate
CID 46317647
methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate
CID 117140299
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
methyl 3-amino-5-methyl-4-pyridin-3-ylthiophene-2-carboxylate
CID 83971401
methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317643
methyl 4,5-dioxo-2-pyridin-3-ylfuran-3-carboxylate
CID 116851727
methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317611
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate?
The IUPAC name of ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate (CID 169237726) is ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate.
What is the SMILES notation for ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate?
The canonical SMILES for ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate is CC.COC(=O)c1c(C)c(-c2cccnc2)cn1N.
What is the InChIKey of ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate?
The InChIKey is UWVQXPUHPZOWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.C2H6/c1-8-10(9-4-3-5-14-6-9)7-15(13)11(8)12(16)17-2;1-2/h3-7H,13H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate?
ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate is sourced from PubChem (CID 169237726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).