N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide

C22H23N5O — CID 71864107

IUPACN-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCn1cc(Nc2cccc(C(=O)NCCCn3ccc4ccccc43)c2)cn1
InChIInChI=1S/C22H23N5O/c1-26-16-20(15-24-26)25-19-8-4-7-18(14-19)22(28)23-11-5-12-27-13-10-17-6-2-3-9-21(17)27/h2-4,6-10,13-16,25H,5,11-12H2,1H3,(H,23,28)
InChIKeyRMWZWQMTMTVMOF-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.94
Rot. Bonds7

About N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide

N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide (PubChem CID 71864107) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
PubChem CID71864107
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCn1cc(Nc2cccc(C(=O)NCCCn3ccc4ccccc43)c2)cn1
InChIInChI=1S/C22H23N5O/c1-26-16-20(15-24-26)25-19-8-4-7-18(14-19)22(28)23-11-5-12-27-13-10-17-6-2-3-9-21(17)27/h2-4,6-10,13-16,25H,5,11-12H2,1H3,(H,23,28)
InChIKeyRMWZWQMTMTVMOF-UHFFFAOYSA-N
XLogP3.94
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide (CID 71864107) is N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide is Cn1cc(Nc2cccc(C(=O)NCCCn3ccc4ccccc43)c2)cn1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The InChIKey is RMWZWQMTMTVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26-16-20(15-24-26)25-19-8-4-7-18(14-19)22(28)23-11-5-12-27-13-10-17-6-2-3-9-21(17)27/h2-4,6-10,13-16,25H,5,11-12H2,1H3,(H,23,28).
What are the key properties of N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide is sourced from PubChem (CID 71864107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).