3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide

C28H30N4O — CID 127047189

IUPAC3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc4ccn(C)c4c3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C28H30N4O/c1-20-5-4-6-24(17-20)28(33)29-25-18-22(9-10-26(25)32-15-13-30(2)14-16-32)23-8-7-21-11-12-31(3)27(21)19-23/h4-12,17-19H,13-16H2,1-3H3,(H,29,33)
InChIKeyRUNVKVWRCYOLIT-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.16
Rot. Bonds4

About 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide

3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 127047189) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID127047189
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc4ccn(C)c4c3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C28H30N4O/c1-20-5-4-6-24(17-20)28(33)29-25-18-22(9-10-26(25)32-15-13-30(2)14-16-32)23-8-7-21-11-12-31(3)27(21)19-23/h4-12,17-19H,13-16H2,1-3H3,(H,29,33)
InChIKeyRUNVKVWRCYOLIT-UHFFFAOYSA-N
XLogP5.16
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 127047189) is 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cc(-c3ccc4ccn(C)c4c3)ccc2N2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is RUNVKVWRCYOLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-20-5-4-6-24(17-20)28(33)29-25-18-22(9-10-26(25)32-15-13-30(2)14-16-32)23-8-7-21-11-12-31(3)27(21)19-23/h4-12,17-19H,13-16H2,1-3H3,(H,29,33).
What are the key properties of 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide?
3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 438.58 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(1-methylindol-6-yl)-2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 127047189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).