3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride

C21H24Cl3N5O4 — CID 172686532

About 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride

3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 172686532) has the molecular formula C21H24Cl3N5O4 and a molecular weight of 516.81 g/mol. Its IUPAC name is 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
• PubChem CID: 172686532
• Molecular Formula: C21H24Cl3N5O4
• Molecular Weight: 516.81 g/mol
• Exact Mass: 515.09
• IUPAC Name: 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
• SMILES: Cc1[nH]c(C(=O)Nc2ccc(-c3n[nH]c(=O)o3)cc2OCCC2CCNCC2)c(Cl)c1Cl.Cl
• InChI: InChI=1S/C21H23Cl2N5O4.ClH/c1-11-16(22)17(23)18(25-11)19(29)26-14-3-2-13(20-27-28-21(30)32-20)10-15(14)31-9-6-12-4-7-24-8-5-12;/h2-3,10,12,24-25H,4-9H2,1H3,(H,26,29)(H,28,30);1H
• InChIKey: BCNOWSNEWMNEAA-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 125.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.81
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?

The IUPAC name of 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride (CID 172686532) is 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride.

What is the SMILES notation for 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?

The canonical SMILES for 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride is Cc1[nH]c(C(=O)Nc2ccc(-c3n[nH]c(=O)o3)cc2OCCC2CCNCC2)c(Cl)c1Cl.Cl.

What is the InChIKey of 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?

The InChIKey is BCNOWSNEWMNEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O4.ClH/c1-11-16(22)17(23)18(25-11)19(29)26-14-3-2-13(20-27-28-21(30)32-20)10-15(14)31-9-6-12-4-7-24-8-5-12;/h2-3,10,12,24-25H,4-9H2,1H3,(H,26,29)(H,28,30);1H.

What are the key properties of 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?

3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 516.81 g/mol, XLogP of 4.42, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-5-methyl-N-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 172686532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).