N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

C21H21N5O — CID 25152109

About N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (PubChem CID 25152109) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
• PubChem CID: 25152109
• Molecular Formula: C21H21N5O
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.17
• IUPAC Name: N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
• SMILES: COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1
• InChI: InChI=1S/C21H21N5O/c1-14-7-18-17(13-26-21(18)25-9-14)8-15-3-5-19(22-10-15)23-11-16-4-6-20(27-2)24-12-16/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,22,23)(H,25,26)
• InChIKey: MVLGAGSQJFJLEN-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 75.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?

The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (CID 25152109) is N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1.

What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?

The InChIKey is MVLGAGSQJFJLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-7-18-17(13-26-21(18)25-9-14)8-15-3-5-19(22-10-15)23-11-16-4-6-20(27-2)24-12-16/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,22,23)(H,25,26).

What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?

N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine has a molecular weight of 359.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 25152109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).