ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C23H25N3O5 — CID 42822562

About ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 42822562) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
• PubChem CID: 42822562
• Molecular Formula: C23H25N3O5
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
• SMILES: CCOC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2ccco2)c1C
• InChI: InChI=1S/C23H25N3O5/c1-4-30-23(29)21-15(2)20(16(3)25-21)18(27)14-26(22(28)19-9-7-13-31-19)12-10-17-8-5-6-11-24-17/h5-9,11,13,25H,4,10,12,14H2,1-3H3
• InChIKey: QOEGBHJFVPMDHL-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 105.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?

The IUPAC name of ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 42822562) is ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

What is the SMILES notation for ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?

The canonical SMILES for ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2ccco2)c1C.

What is the InChIKey of ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?

The InChIKey is QOEGBHJFVPMDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-30-23(29)21-15(2)20(16(3)25-21)18(27)14-26(22(28)19-9-7-13-31-19)12-10-17-8-5-6-11-24-17/h5-9,11,13,25H,4,10,12,14H2,1-3H3.

What are the key properties of ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?

ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-[furan-2-carbonyl(2-pyridin-2-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 42822562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).