3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide

C24H25FN6O2 — CID 146370732

About 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (PubChem CID 146370732) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
• PubChem CID: 146370732
• Molecular Formula: C24H25FN6O2
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.20
• IUPAC Name: 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
• SMILES: COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)c2)c1
• InChI: InChI=1S/C24H25FN6O2/c1-15-21(3-4-22(25)31-15)17-9-16(13-30-24-27-7-8-28-24)10-18(11-17)23(32)29-14-19-12-20(33-2)5-6-26-19/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,29,32)(H2,27,28,30)
• InChIKey: YMLHYSSHPLNUBK-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 100.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?

The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (CID 146370732) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.

What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?

The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)c2)c1.

What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?

The InChIKey is YMLHYSSHPLNUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-15-21(3-4-22(25)31-15)17-9-16(13-30-24-27-7-8-28-24)10-18(11-17)23(32)29-14-19-12-20(33-2)5-6-26-19/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,29,32)(H2,27,28,30).

What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide has a molecular weight of 448.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146370732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).