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

C29H25N7O2 — CID 135256683

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

5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 135256683) has the molecular formula C29H25N7O2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide
• PubChem CID: 135256683
• Molecular Formula: C29H25N7O2
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.21
• IUPAC Name: 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2ccn(C)c(=O)c2)nc(-c2ccc(C(=O)NCc3ccc(-c4ccccc4)nc3)nc2)n1
• InChI: InChI=1S/C29H25N7O2/c1-19-14-26(34-23-12-13-36(2)27(37)15-23)35-28(33-19)22-9-11-25(31-18-22)29(38)32-17-20-8-10-24(30-16-20)21-6-4-3-5-7-21/h3-16,18H,17H2,1-2H3,(H,32,38)(H,33,34,35)
• InChIKey: BAVLSMSHLGAXDD-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	4.28
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-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 135256683) is 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cc(Nc2ccn(C)c(=O)c2)nc(-c2ccc(C(=O)NCc3ccc(-c4ccccc4)nc3)nc2)n1.

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

The InChIKey is BAVLSMSHLGAXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O2/c1-19-14-26(34-23-12-13-36(2)27(37)15-23)35-28(33-19)22-9-11-25(31-18-22)29(38)32-17-20-8-10-24(30-16-20)21-6-4-3-5-7-21/h3-16,18H,17H2,1-2H3,(H,32,38)(H,33,34,35).

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

5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 503.57 g/mol, XLogP of 4.28, 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-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).