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

C24H23N5O3 — CID 66907302

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

N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 66907302) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 66907302
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cccnc32)c1
• InChI: InChI=1S/C24H23N5O3/c1-32-20-6-2-4-16(10-20)13-29-21(11-17-5-3-9-25-23(17)29)24(31)27-18-7-8-22(26-12-18)28-14-19(30)15-28/h2-12,19,30H,13-15H2,1H3,(H,27,31)
• InChIKey: GYQZKJZNURQVOE-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 92.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (CID 66907302) is N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cccnc32)c1.

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

The InChIKey is GYQZKJZNURQVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-32-20-6-2-4-16(10-20)13-29-21(11-17-5-3-9-25-23(17)29)24(31)27-18-7-8-22(26-12-18)28-14-19(30)15-28/h2-12,19,30H,13-15H2,1H3,(H,27,31).

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

N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66907302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).