N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide

C30H28F3N5O3 — CID 174253265

About N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide

N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 174253265) has the molecular formula C30H28F3N5O3 and a molecular weight of 563.58 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide
• PubChem CID: 174253265
• Molecular Formula: C30H28F3N5O3
• Molecular Weight: 563.58 g/mol
• Exact Mass: 563.21
• IUPAC Name: N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide
• SMILES: CCn1c(-c2ccc(N3C(=O)C(C)CC3C)cc2)cc2cc(C(F)(F)F)nc(C(=O)Nc3cccc(C(N)=O)c3)c21
• InChI: InChI=1S/C30H28F3N5O3/c1-4-37-23(18-8-10-22(11-9-18)38-17(3)12-16(2)29(38)41)14-20-15-24(30(31,32)33)36-25(26(20)37)28(40)35-21-7-5-6-19(13-21)27(34)39/h5-11,13-17H,4,12H2,1-3H3,(H2,34,39)(H,35,40)
• InChIKey: UNLZCXFYVAMSBW-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 110.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.58
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide?

The IUPAC name of N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide (CID 174253265) is N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide.

What is the SMILES notation for N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide?

The canonical SMILES for N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide is CCn1c(-c2ccc(N3C(=O)C(C)CC3C)cc2)cc2cc(C(F)(F)F)nc(C(=O)Nc3cccc(C(N)=O)c3)c21.

What is the InChIKey of N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide?

The InChIKey is UNLZCXFYVAMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O3/c1-4-37-23(18-8-10-22(11-9-18)38-17(3)12-16(2)29(38)41)14-20-15-24(30(31,32)33)36-25(26(20)37)28(40)35-21-7-5-6-19(13-21)27(34)39/h5-11,13-17H,4,12H2,1-3H3,(H2,34,39)(H,35,40).

What are the key properties of N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide?

N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 563.58 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-carbamoylphenyl)-2-[4-(3,5-dimethyl-2-oxopyrrolidin-1-yl)phenyl]-1-ethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 174253265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).