N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine

C18H21N5O — CID 45240216

About N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine

N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine (PubChem CID 45240216) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine.

Molecular Properties

• Compound Name: N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine
• PubChem CID: 45240216
• Molecular Formula: C18H21N5O
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.17
• IUPAC Name: N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine
• SMILES: Cc1ccc(Oc2ncccc2CNCc2cnc(C)n2C)cn1
• InChI: InChI=1S/C18H21N5O/c1-13-6-7-17(12-21-13)24-18-15(5-4-8-20-18)9-19-10-16-11-22-14(2)23(16)3/h4-8,11-12,19H,9-10H2,1-3H3
• InChIKey: FJEDIGKQHFVDHR-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?

The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine (CID 45240216) is N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine.

What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?

The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine is Cc1ccc(Oc2ncccc2CNCc2cnc(C)n2C)cn1.

What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?

The InChIKey is FJEDIGKQHFVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-6-7-17(12-21-13)24-18-15(5-4-8-20-18)9-19-10-16-11-22-14(2)23(16)3/h4-8,11-12,19H,9-10H2,1-3H3.

What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?

N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine has a molecular weight of 323.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 45240216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).