3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide

C26H29N5O — CID 6060514

IUPAC3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
SMILESO=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C\c1cccnc1
InChIInChI=1S/C26H29N5O/c32-25(29-28-21-22-8-7-14-27-20-22)13-15-30-16-18-31(19-17-30)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-12,14,20-21,26H,13,15-19H2,(H,29,32)/b28-21-
InChIKeySWPYAYBUPKUXMJ-HFTWOUSFSA-N
MW427.55 g/mol
LogP3.33
Rot. Bonds8

About 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide

3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide (PubChem CID 6060514) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
PubChem CID6060514
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
SMILESO=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C\c1cccnc1
InChIInChI=1S/C26H29N5O/c32-25(29-28-21-22-8-7-14-27-20-22)13-15-30-16-18-31(19-17-30)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-12,14,20-21,26H,13,15-19H2,(H,29,32)/b28-21-
InChIKeySWPYAYBUPKUXMJ-HFTWOUSFSA-N
XLogP3.33
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tagorizine
CID 6436051
2-(4-Benzyl-1-piperazinyl)-N'-(1-(4-pyridinyl)ethylidene)acetohydrazide
CID 9617944
N-(1-piperidinyl)-5,6-diphenyl-2-pyrazinecarboxamide
CID 9906800
N-(piperidin-1-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 10126513
2-(4-benzylpiperazin-1-yl)-N'-[2-[bis(pyridin-2-ylmethyl)amino]acetyl]acetohydrazide
CID 71770185
(E)-N'-(4-methylbenzylidene)-2-morpholino-2-(pyridin-4-yl)acetohydrazide
CID 9666097
Terephthalaldehyde, 4-I-4
CID 10388398
N'-(2-Phenylethyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017378
N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide
CID 757999
N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-2,2-diphenylacetamide
CID 6881889
2-phenyl-N'-(3-pyridinylmethylene)acetohydrazide
CID 6894216
N'-{[2-(4-methylpiperazino)phenyl]methylene}nicotinohydrazide
CID 9580681

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide (CID 6060514) is 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C\c1cccnc1.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
The InChIKey is SWPYAYBUPKUXMJ-HFTWOUSFSA-N. The full InChI is InChI=1S/C26H29N5O/c32-25(29-28-21-22-8-7-14-27-20-22)13-15-30-16-18-31(19-17-30)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-12,14,20-21,26H,13,15-19H2,(H,29,32)/b28-21-.
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide has a molecular weight of 427.55 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 6060514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).