N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

C24H24FN5O2 — CID 92640294

About N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92640294) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
• PubChem CID: 92640294
• Molecular Formula: C24H24FN5O2
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.19
• IUPAC Name: N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
• SMILES: Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C24H24FN5O2/c1-16-20(23(31)28-13-17-7-9-19(25)10-8-17)15-27-22(29-16)21-6-2-3-12-30(21)24(32)18-5-4-11-26-14-18/h4-5,7-11,14-15,21H,2-3,6,12-13H2,1H3,(H,28,31)/t21-/m1/s1
• InChIKey: RQWQCMJDTOGLHP-OAQYLSRUSA-N
• XLogP: 3.62
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 92640294) is N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.

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

The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?

The InChIKey is RQWQCMJDTOGLHP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-16-20(23(31)28-13-17-7-9-19(25)10-8-17)15-27-22(29-16)21-6-2-3-12-30(21)24(32)18-5-4-11-26-14-18/h4-5,7-11,14-15,21H,2-3,6,12-13H2,1H3,(H,28,31)/t21-/m1/s1.

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

N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92640294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).