2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide

C23H21N7O2 — CID 122317288

About 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide

2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 122317288) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
• PubChem CID: 122317288
• Molecular Formula: C23H21N7O2
• Molecular Weight: 427.47 g/mol
• Exact Mass: 427.18
• IUPAC Name: 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
• SMILES: COc1cc(C(=O)Nc2ccc(Nc3cc(Nc4ccccn4)nc(C)n3)cc2)ccn1
• InChI: InChI=1S/C23H21N7O2/c1-15-26-20(14-21(27-15)30-19-5-3-4-11-24-19)28-17-6-8-18(9-7-17)29-23(31)16-10-12-25-22(13-16)32-2/h3-14H,1-2H3,(H,29,31)(H2,24,26,27,28,30)
• InChIKey: VRKKIBKYNBLXOI-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 113.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?

The IUPAC name of 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide (CID 122317288) is 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide is COc1cc(C(=O)Nc2ccc(Nc3cc(Nc4ccccn4)nc(C)n3)cc2)ccn1.

What is the InChIKey of 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?

The InChIKey is VRKKIBKYNBLXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-15-26-20(14-21(27-15)30-19-5-3-4-11-24-19)28-17-6-8-18(9-7-17)29-23(31)16-10-12-25-22(13-16)32-2/h3-14H,1-2H3,(H,29,31)(H2,24,26,27,28,30).

What are the key properties of 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?

2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 122317288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).