N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C24H21ClN4O3 — CID 55859027

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55859027) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
• PubChem CID: 55859027
• Molecular Formula: C24H21ClN4O3
• Molecular Weight: 448.91 g/mol
• Exact Mass: 448.13
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
• SMILES: Cn1ccnc1COc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1
• InChI: InChI=1S/C24H21ClN4O3/c1-28-13-12-26-22(28)16-32-20-9-6-17(7-10-20)24(31)27-19-8-11-23(30)29(15-19)14-18-4-2-3-5-21(18)25/h2-13,15H,14,16H2,1H3,(H,27,31)
• InChIKey: LHCSQODNDUMXLZ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.91
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55859027) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is Cn1ccnc1COc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?

The InChIKey is LHCSQODNDUMXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-28-13-12-26-22(28)16-32-20-9-6-17(7-10-20)24(31)27-19-8-11-23(30)29(15-19)14-18-4-2-3-5-21(18)25/h2-13,15H,14,16H2,1H3,(H,27,31).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 448.91 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55859027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).