N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C24H23N5O — CID 10222445

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

N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 10222445) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
• PubChem CID: 10222445
• Molecular Formula: C24H23N5O
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.19
• IUPAC Name: N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
• SMILES: O=C(Nc1c[nH]c2ncc(-c3ccc(CN4CCCC4)cc3)cc12)c1cccnc1
• InChI: InChI=1S/C24H23N5O/c30-24(19-4-3-9-25-13-19)28-22-15-27-23-21(22)12-20(14-26-23)18-7-5-17(6-8-18)16-29-10-1-2-11-29/h3-9,12-15H,1-2,10-11,16H2,(H,26,27)(H,28,30)
• InChIKey: XSOFUZRWAROEJM-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 10222445) is N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is O=C(Nc1c[nH]c2ncc(-c3ccc(CN4CCCC4)cc3)cc12)c1cccnc1.

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

The InChIKey is XSOFUZRWAROEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(19-4-3-9-25-13-19)28-22-15-27-23-21(22)12-20(14-26-23)18-7-5-17(6-8-18)16-29-10-1-2-11-29/h3-9,12-15H,1-2,10-11,16H2,(H,26,27)(H,28,30).

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

N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10222445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).