1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide

C23H21N7O2 — CID 122317146

About 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide

1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 122317146) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 122317146
• Molecular Formula: C23H21N7O2
• Molecular Weight: 427.47 g/mol
• Exact Mass: 427.18
• IUPAC Name: 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1nc(Nc2ccc(NC(=O)c3cccn(C)c3=O)cc2)cc(Nc2ccccn2)n1
• InChI: InChI=1S/C23H21N7O2/c1-15-25-20(14-21(26-15)29-19-7-3-4-12-24-19)27-16-8-10-17(11-9-16)28-22(31)18-6-5-13-30(2)23(18)32/h3-14H,1-2H3,(H,28,31)(H2,24,25,26,27,29)
• InChIKey: QWQOTVKMJABISH-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 113.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide (CID 122317146) is 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide is Cc1nc(Nc2ccc(NC(=O)c3cccn(C)c3=O)cc2)cc(Nc2ccccn2)n1.

What is the InChIKey of 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide?

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

What are the key properties of 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide?

1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 122317146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).