N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine

C23H23N5O2 — CID 59824141

About N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine

N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 59824141) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

• Compound Name: N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
• PubChem CID: 59824141
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
• SMILES: Cc1cccc(C)c1CNc1cc(-c2ccc([N+](=O)[O-])cn2)cn2c(C)c(C)nc12
• InChI: InChI=1S/C23H23N5O2/c1-14-6-5-7-15(2)20(14)12-25-22-10-18(13-27-17(4)16(3)26-23(22)27)21-9-8-19(11-24-21)28(29)30/h5-11,13,25H,12H2,1-4H3
• InChIKey: ZHKZHIOHONJYHA-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 85.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine?

The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine (CID 59824141) is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine.

What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine?

The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine is Cc1cccc(C)c1CNc1cc(-c2ccc([N+](=O)[O-])cn2)cn2c(C)c(C)nc12.

What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine?

The InChIKey is ZHKZHIOHONJYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-6-5-7-15(2)20(14)12-25-22-10-18(13-27-17(4)16(3)26-23(22)27)21-9-8-19(11-24-21)28(29)30/h5-11,13,25H,12H2,1-4H3.

What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine?

N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 401.47 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-nitro-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 59824141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).