5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide

C29H22N6O2 — CID 66963332

About 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide

5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 66963332) has the molecular formula C29H22N6O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
• PubChem CID: 66963332
• Molecular Formula: C29H22N6O2
• Molecular Weight: 486.54 g/mol
• Exact Mass: 486.18
• IUPAC Name: 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
• SMILES: NCc1cncc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)c1
• InChI: InChI=1S/C29H22N6O2/c30-14-18-12-19(16-31-15-18)29(36)35-21-10-8-20(9-11-21)34-27-13-25(32-17-33-27)24-6-3-5-23-22-4-1-2-7-26(22)37-28(23)24/h1-13,15-17H,14,30H2,(H,35,36)(H,32,33,34)
• InChIKey: HEMZKYDGCSZANW-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 118.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.54
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide (CID 66963332) is 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide is NCc1cncc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)c1.

What is the InChIKey of 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The InChIKey is HEMZKYDGCSZANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O2/c30-14-18-12-19(16-31-15-18)29(36)35-21-10-8-20(9-11-21)34-27-13-25(32-17-33-27)24-6-3-5-23-22-4-1-2-7-26(22)37-28(23)24/h1-13,15-17H,14,30H2,(H,35,36)(H,32,33,34).

What are the key properties of 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 5.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66963332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).