N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

C24H20Cl2FN5O — CID 146370810

About N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 146370810) has the molecular formula C24H20Cl2FN5O and a molecular weight of 484.36 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
• PubChem CID: 146370810
• Molecular Formula: C24H20Cl2FN5O
• Molecular Weight: 484.36 g/mol
• Exact Mass: 483.10
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
• SMILES: Cc1nc(F)ccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
• InChI: InChI=1S/C24H20Cl2FN5O/c1-14-18(4-6-23(27)30-14)21-10-17(13-32-8-7-28-15(32)2)11-22(31-21)24(33)29-12-16-3-5-19(25)20(26)9-16/h3-11H,12-13H2,1-2H3,(H,29,33)
• InChIKey: SAZBBSALDUBDMF-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.36
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (CID 146370810) is N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is Cc1nc(F)ccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?

The InChIKey is SAZBBSALDUBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O/c1-14-18(4-6-23(27)30-14)21-10-17(13-32-8-7-28-15(32)2)11-22(31-21)24(33)29-12-16-3-5-19(25)20(26)9-16/h3-11H,12-13H2,1-2H3,(H,29,33).

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?

N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 484.36 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146370810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).