1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide

C20H23N7O2 — CID 122315497

About 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide

1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 122315497) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 122315497
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1ccnc(Nc2cc(NCCNC(=O)c3cccn(C)c3=O)nc(C)n2)c1
• InChI: InChI=1S/C20H23N7O2/c1-13-6-7-21-16(11-13)26-18-12-17(24-14(2)25-18)22-8-9-23-19(28)15-5-4-10-27(3)20(15)29/h4-7,10-12H,8-9H2,1-3H3,(H,23,28)(H2,21,22,24,25,26)
• InChIKey: JGRNQTURKGDGRT-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 113.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide (CID 122315497) is 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide is Cc1ccnc(Nc2cc(NCCNC(=O)c3cccn(C)c3=O)nc(C)n2)c1.

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

The InChIKey is JGRNQTURKGDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-6-7-21-16(11-13)26-18-12-17(24-14(2)25-18)22-8-9-23-19(28)15-5-4-10-27(3)20(15)29/h4-7,10-12H,8-9H2,1-3H3,(H,23,28)(H2,21,22,24,25,26).

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

1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 122315497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).