methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate

C15H18N2O3 — CID 91672211

IUPACmethyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
SMILESCOCCn1c(-c2cccnc2)cc(C(=O)OC)c1C
InChIInChI=1S/C15H18N2O3/c1-11-13(15(18)20-3)9-14(17(11)7-8-19-2)12-5-4-6-16-10-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyQMNVEBYSTCNNRW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.29
Rot. Bonds5

About methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate

methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate (PubChem CID 91672211) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
PubChem CID91672211
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
SMILESCOCCn1c(-c2cccnc2)cc(C(=O)OC)c1C
InChIInChI=1S/C15H18N2O3/c1-11-13(15(18)20-3)9-14(17(11)7-8-19-2)12-5-4-6-16-10-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyQMNVEBYSTCNNRW-UHFFFAOYSA-N
XLogP2.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile
CID 91672340
methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672501
4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide
CID 91672928
3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 142354015
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
methyl 2-chloro-5-methylsulfonyl-4-pyridin-3-ylbenzoate
CID 18920056
3-[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 90366939
methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 10381261

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate (CID 91672211) is methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate is COCCn1c(-c2cccnc2)cc(C(=O)OC)c1C.
What is the InChIKey of methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
The InChIKey is QMNVEBYSTCNNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-13(15(18)20-3)9-14(17(11)7-8-19-2)12-5-4-6-16-10-12/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate is sourced from PubChem (CID 91672211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).