5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide

C21H19N7O2 — CID 122316412

About 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122316412) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 122316412
• Molecular Formula: C21H19N7O2
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.16
• IUPAC Name: 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)c4cnoc4C)cc3)ncn2)c1
• InChI: InChI=1S/C21H19N7O2/c1-13-7-8-22-18(9-13)28-20-10-19(23-12-24-20)26-15-3-5-16(6-4-15)27-21(29)17-11-25-30-14(17)2/h3-12H,1-2H3,(H,27,29)(H2,22,23,24,26,28)
• InChIKey: SJGFIDNIOKEONY-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 117.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122316412) is 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)c4cnoc4C)cc3)ncn2)c1.

What is the InChIKey of 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide?

The InChIKey is SJGFIDNIOKEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-13-7-8-22-18(9-13)28-20-10-19(23-12-24-20)26-15-3-5-16(6-4-15)27-21(29)17-11-25-30-14(17)2/h3-12H,1-2H3,(H,27,29)(H2,22,23,24,26,28).

What are the key properties of 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide?

5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122316412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).