N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide

C25H22ClN3O2 — CID 59015807

About N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 59015807) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
• PubChem CID: 59015807
• Molecular Formula: C25H22ClN3O2
• Molecular Weight: 431.92 g/mol
• Exact Mass: 431.14
• IUPAC Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
• SMILES: Cc1cnc(-c2ccccc2)cc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1
• InChI: InChI=1S/C25H22ClN3O2/c1-16-13-27-22(17-6-3-2-4-7-17)12-21(16)19-11-23(28-14-19)25(31)29-24(15-30)18-8-5-9-20(26)10-18/h2-14,24,28,30H,15H2,1H3,(H,29,31)
• InChIKey: ALNBPSIIHJNUTR-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 78.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.92
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide (CID 59015807) is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1cnc(-c2ccccc2)cc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1.

What is the InChIKey of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?

The InChIKey is ALNBPSIIHJNUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16-13-27-22(17-6-3-2-4-7-17)12-21(16)19-11-23(28-14-19)25(31)29-24(15-30)18-8-5-9-20(26)10-18/h2-14,24,28,30H,15H2,1H3,(H,29,31).

What are the key properties of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 59015807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).