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

C22H22N4 — CID 58442166

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

N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (PubChem CID 58442166) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
• PubChem CID: 58442166
• Molecular Formula: C22H22N4
• Molecular Weight: 342.45 g/mol
• Exact Mass: 342.18
• IUPAC Name: N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
• SMILES: Cc1cnc2[nH]cc(Cc3ccc(NCc4ccccc4C)nc3)c2c1
• InChI: InChI=1S/C22H22N4/c1-15-9-20-19(14-26-22(20)25-11-15)10-17-7-8-21(23-12-17)24-13-18-6-4-3-5-16(18)2/h3-9,11-12,14H,10,13H2,1-2H3,(H,23,24)(H,25,26)
• InChIKey: JZAKDSSISPEVMX-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.45
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (CID 58442166) is N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

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

The canonical SMILES for N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is Cc1cnc2[nH]cc(Cc3ccc(NCc4ccccc4C)nc3)c2c1.

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

The InChIKey is JZAKDSSISPEVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-9-20-19(14-26-22(20)25-11-15)10-17-7-8-21(23-12-17)24-13-18-6-4-3-5-16(18)2/h3-9,11-12,14H,10,13H2,1-2H3,(H,23,24)(H,25,26).

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

N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 58442166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).