5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide

C₃₀H₂₇N₇O₂ — CID 135256654

About 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide

5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide (PubChem CID 135256654) has the molecular formula C₃₀H₂₇N₇O₂ and a molecular weight of 517.59 g/mol. Its IUPAC name is 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide
• PubChem CID: 135256654
• Molecular Formula: C₃₀H₂₇N₇O₂
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.22
• IUPAC Name: 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2ccn(C)c(=O)c2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccccc4)nc3)nc2)n1
• InChI: InChI=1S/C30H27N7O2/c1-19-15-27(35-24-13-14-37(3)28(38)16-24)36-29(33-19)23-10-12-26(32-18-23)30(39)34-20(2)22-9-11-25(31-17-22)21-7-5-4-6-8-21/h4-18,20H,1-3H3,(H,34,39)(H,33,35,36)
• InChIKey: JDTRBBPAWANGOJ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide (CID 135256654) is 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide is Cc1cc(Nc2ccn(C)c(=O)c2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccccc4)nc3)nc2)n1.

What is the InChIKey of 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

The InChIKey is JDTRBBPAWANGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O2/c1-19-15-27(35-24-13-14-37(3)28(38)16-24)36-29(33-19)23-10-12-26(32-18-23)30(39)34-20(2)22-9-11-25(31-17-22)21-7-5-4-6-8-21/h4-18,20H,1-3H3,(H,34,39)(H,33,35,36).

What are the key properties of 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135256654 — identifiers, structure, computed properties (public domain)

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