N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide

C28H30N6O2 — CID 156523967

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide (PubChem CID 156523967) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide
• PubChem CID: 156523967
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cc(C)n(Cc2ccc(Nc3ccccc3)cc2NC=O)c1
• InChI: InChI=1S/C28H30N6O2/c1-18-11-27(29)32-20(3)25(18)14-30-28(36)22-12-19(2)34(16-22)15-21-9-10-24(13-26(21)31-17-35)33-23-7-5-4-6-8-23/h4-13,16-17,33H,14-15H2,1-3H3,(H2,29,32)(H,30,36)(H,31,35)
• InChIKey: ATGYIKFKNWLDEF-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 114.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide (CID 156523967) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cc(C)n(Cc2ccc(Nc3ccccc3)cc2NC=O)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide?

The InChIKey is ATGYIKFKNWLDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-18-11-27(29)32-20(3)25(18)14-30-28(36)22-12-19(2)34(16-22)15-21-9-10-24(13-26(21)31-17-35)33-23-7-5-4-6-8-23/h4-13,16-17,33H,14-15H2,1-3H3,(H2,29,32)(H,30,36)(H,31,35).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.68, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide is sourced from PubChem (CID 156523967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).