ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate

C26H24N2O2 — CID 90644881

IUPACethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C
InChIInChI=1S/C26H24N2O2/c1-4-30-26(29)21-15-16-22(27-17(21)2)23-18(3)28-25(20-13-9-6-10-14-20)24(23)19-11-7-5-8-12-19/h5-16,28H,4H2,1-3H3
InChIKeyGGOWRUXTCSMBBF-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.20
Rot. Bonds5

About ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate

ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate (PubChem CID 90644881) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate
PubChem CID90644881
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Nameethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C
InChIInChI=1S/C26H24N2O2/c1-4-30-26(29)21-15-16-22(27-17(21)2)23-18(3)28-25(20-13-9-6-10-14-20)24(23)19-11-7-5-8-12-19/h5-16,28H,4H2,1-3H3
InChIKeyGGOWRUXTCSMBBF-UHFFFAOYSA-N
XLogP6.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate (CID 90644881) is ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate?
The InChIKey is GGOWRUXTCSMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-4-30-26(29)21-15-16-22(27-17(21)2)23-18(3)28-25(20-13-9-6-10-14-20)24(23)19-11-7-5-8-12-19/h5-16,28H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate?
ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 90644881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).