6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide

C24H23N7O2 — CID 122316467

About 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide

6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 122316467) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
• PubChem CID: 122316467
• Molecular Formula: C24H23N7O2
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.19
• IUPAC Name: 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
• SMILES: CCOc1ccc(C(=O)Nc2ccc(Nc3cc(Nc4cc(C)ccn4)ncn3)cc2)cn1
• InChI: InChI=1S/C24H23N7O2/c1-3-33-23-9-4-17(14-26-23)24(32)30-19-7-5-18(6-8-19)29-21-13-22(28-15-27-21)31-20-12-16(2)10-11-25-20/h4-15H,3H2,1-2H3,(H,30,32)(H2,25,27,28,29,31)
• InChIKey: NJJAMWGLSQQAKI-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 113.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide (CID 122316467) is 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(Nc3cc(Nc4cc(C)ccn4)ncn3)cc2)cn1.

What is the InChIKey of 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?

The InChIKey is NJJAMWGLSQQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-3-33-23-9-4-17(14-26-23)24(32)30-19-7-5-18(6-8-19)29-21-13-22(28-15-27-21)31-20-12-16(2)10-11-25-20/h4-15H,3H2,1-2H3,(H,30,32)(H2,25,27,28,29,31).

What are the key properties of 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?

6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122316467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).