N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

C23H26N6O — CID 167970447

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 167970447) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
• PubChem CID: 167970447
• Molecular Formula: C23H26N6O
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.22
• IUPAC Name: N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
• SMILES: O=C(NCc1ccc(-n2ccnc2)nc1)N1CCN(C/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C23H26N6O/c30-23(26-18-21-8-9-22(25-17-21)29-12-10-24-19-29)28-15-13-27(14-16-28)11-4-7-20-5-2-1-3-6-20/h1-10,12,17,19H,11,13-16,18H2,(H,26,30)/b7-4+
• InChIKey: XTTGKBYXDTYTOV-QPJJXVBHSA-N
• XLogP: 2.81
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 167970447) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is O=C(NCc1ccc(-n2ccnc2)nc1)N1CCN(C/C=C/c2ccccc2)CC1.

What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

The InChIKey is XTTGKBYXDTYTOV-QPJJXVBHSA-N. The full InChI is InChI=1S/C23H26N6O/c30-23(26-18-21-8-9-22(25-17-21)29-12-10-24-19-29)28-15-13-27(14-16-28)11-4-7-20-5-2-1-3-6-20/h1-10,12,17,19H,11,13-16,18H2,(H,26,30)/b7-4+.

What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 167970447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).