N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide

C25H24N6O2 — CID 118606720

About N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 118606720) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide
• PubChem CID: 118606720
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide
• SMILES: Cn1ccnc1CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1
• InChI: InChI=1S/C25H24N6O2/c1-31-13-12-27-21(31)15-22(33)30-20-14-16(10-11-26-20)24-25(28-17-6-3-2-4-7-17)23-18(29-24)8-5-9-19(23)32/h2-4,6-7,10-14,28-29H,5,8-9,15H2,1H3,(H,26,30,33)
• InChIKey: HNIBQYGGITWCJX-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 104.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide?

The IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide (CID 118606720) is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide.

What is the SMILES notation for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide?

The canonical SMILES for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide is Cn1ccnc1CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1.

What is the InChIKey of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide?

The InChIKey is HNIBQYGGITWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-31-13-12-27-21(31)15-22(33)30-20-14-16(10-11-26-20)24-25(28-17-6-3-2-4-7-17)23-18(29-24)8-5-9-19(23)32/h2-4,6-7,10-14,28-29H,5,8-9,15H2,1H3,(H,26,30,33).

What are the key properties of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide?

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 440.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 118606720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).