N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide

C24H23N5O2 — CID 66907697

About N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 66907697) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 66907697
• Molecular Formula: C24H23N5O2
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.19
• IUPAC Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cccnc32)cc1
• InChI: InChI=1S/C24H23N5O2/c1-31-20-8-5-17(6-9-20)16-29-21(14-18-4-2-11-25-23(18)29)24(30)27-19-7-10-22(26-15-19)28-12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,27,30)
• InChIKey: BDOJQDBKOZCJEE-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (CID 66907697) is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is COc1ccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cccnc32)cc1.

What is the InChIKey of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is BDOJQDBKOZCJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-20-8-5-17(6-9-20)16-29-21(14-18-4-2-11-25-23(18)29)24(30)27-19-7-10-22(26-15-19)28-12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,27,30).

What are the key properties of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66907697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).