4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C29H23N5O2 — CID 149271340

About 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 149271340) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 149271340
• Molecular Formula: C29H23N5O2
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.19
• IUPAC Name: 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccccc1)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1
• InChI: InChI=1S/C29H23N5O2/c35-27-7-4-14-34(27)23-10-8-19(9-11-23)20-15-21(18-30-17-20)24-12-13-31-28-25(24)16-26(33-28)29(36)32-22-5-2-1-3-6-22/h1-3,5-6,8-13,15-18H,4,7,14H2,(H,31,33)(H,32,36)
• InChIKey: XRDGRBZSOMRAGD-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 149271340) is 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccccc1)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1.

What is the InChIKey of 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is XRDGRBZSOMRAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O2/c35-27-7-4-14-34(27)23-10-8-19(9-11-23)20-15-21(18-30-17-20)24-12-13-31-28-25(24)16-26(33-28)29(36)32-22-5-2-1-3-6-22/h1-3,5-6,8-13,15-18H,4,7,14H2,(H,31,33)(H,32,36).

What are the key properties of 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 149271340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).