3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C22H29N5O2 — CID 128938807

About 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 128938807) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
• PubChem CID: 128938807
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)[nH]c2c1C(=O)CC(C)(C)C2
• InChI: InChI=1S/C22H29N5O2/c1-14-19-16(11-22(2,3)12-17(19)28)24-20(14)21(29)25-18-6-5-15(13-23-18)27-9-7-26(4)8-10-27/h5-6,13,24H,7-12H2,1-4H3,(H,23,25,29)
• InChIKey: NYHLOZOVUSIPAQ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?

The IUPAC name of 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 128938807) is 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)[nH]c2c1C(=O)CC(C)(C)C2.

What is the InChIKey of 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?

The InChIKey is NYHLOZOVUSIPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14-19-16(11-22(2,3)12-17(19)28)24-20(14)21(29)25-18-6-5-15(13-23-18)27-9-7-26(4)8-10-27/h5-6,13,24H,7-12H2,1-4H3,(H,23,25,29).

What are the key properties of 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?

3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 128938807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).