N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C29H35FN6O — CID 67267152

About N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67267152) has the molecular formula C29H35FN6O and a molecular weight of 502.64 g/mol. Its IUPAC name is N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
• PubChem CID: 67267152
• Molecular Formula: C29H35FN6O
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.29
• IUPAC Name: N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
• SMILES: CN(c1nccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1)C1CCCCC1
• InChI: InChI=1S/C29H35FN6O/c1-35(26-8-3-2-4-9-26)29-31-15-12-25(34-29)20-36-16-13-24(14-17-36)33-28(37)22-10-11-27(32-19-22)21-6-5-7-23(30)18-21/h5-7,10-12,15,18-19,24,26H,2-4,8-9,13-14,16-17,20H2,1H3,(H,33,37)
• InChIKey: IWIXLYVECJYRJE-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?

The IUPAC name of N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67267152) is N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?

The canonical SMILES for N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is CN(c1nccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1)C1CCCCC1.

What is the InChIKey of N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?

The InChIKey is IWIXLYVECJYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6O/c1-35(26-8-3-2-4-9-26)29-31-15-12-25(34-29)20-36-16-13-24(14-17-36)33-28(37)22-10-11-27(32-19-22)21-6-5-7-23(30)18-21/h5-7,10-12,15,18-19,24,26H,2-4,8-9,13-14,16-17,20H2,1H3,(H,33,37).

What are the key properties of N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?

N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67267152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).