N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide

C29H33N7O2 — CID 164994620

About N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 164994620) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 164994620
• Molecular Formula: C29H33N7O2
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.27
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide
• SMILES: COc1ccc(CNC(=O)C2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cc1
• InChI: InChI=1S/C29H33N7O2/c1-19-14-24(16-25-15-20(2)34-35-25)33-28(32-19)23-6-9-27(30-18-23)36-12-10-22(11-13-36)29(37)31-17-21-4-7-26(38-3)8-5-21/h4-9,14-15,18,22H,10-13,16-17H2,1-3H3,(H,31,37)(H,34,35)
• InChIKey: NPJKYEAWKGHTCY-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 164994620) is N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cc1.

What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

The InChIKey is NPJKYEAWKGHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-19-14-24(16-25-15-20(2)34-35-25)33-28(32-19)23-6-9-27(30-18-23)36-12-10-22(11-13-36)29(37)31-17-21-4-7-26(38-3)8-5-21/h4-9,14-15,18,22H,10-13,16-17H2,1-3H3,(H,31,37)(H,34,35).

What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 164994620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).