4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide

C24H25N5O3 — CID 92637327

About 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide

4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 92637327) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
• PubChem CID: 92637327
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
• SMILES: Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1
• InChI: InChI=1S/C24H25N5O3/c1-16-19(23(31)27-18-8-4-3-5-9-18)14-25-22(26-16)20-10-6-7-13-29(20)24(32)17-11-12-21(30)28(2)15-17/h3-5,8-9,11-12,14-15,20H,6-7,10,13H2,1-2H3,(H,27,31)/t20-/m1/s1
• InChIKey: CKNGVJQIRKQANP-HXUWFJFHSA-N
• XLogP: 3.10
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?

The IUPAC name of 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide (CID 92637327) is 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?

The canonical SMILES for 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1.

What is the InChIKey of 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?

The InChIKey is CKNGVJQIRKQANP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-19(23(31)27-18-8-4-3-5-9-18)14-25-22(26-16)20-10-6-7-13-29(20)24(32)17-11-12-21(30)28(2)15-17/h3-5,8-9,11-12,14-15,20H,6-7,10,13H2,1-2H3,(H,27,31)/t20-/m1/s1.

What are the key properties of 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?

4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92637327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).