3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide

C21H26ClN3O2 — CID 70213710

IUPAC3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
SMILESO=C(NCC1CCCCC1)c1cc(Cl)cc(OCCNc2ccncc2)c1
InChIInChI=1S/C21H26ClN3O2/c22-18-12-17(21(26)25-15-16-4-2-1-3-5-16)13-20(14-18)27-11-10-24-19-6-8-23-9-7-19/h6-9,12-14,16H,1-5,10-11,15H2,(H,23,24)(H,25,26)
InChIKeyZWMJNKZLMKQJKW-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.54
Rot. Bonds8

About 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide

3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide (PubChem CID 70213710) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
PubChem CID70213710
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
SMILESO=C(NCC1CCCCC1)c1cc(Cl)cc(OCCNc2ccncc2)c1
InChIInChI=1S/C21H26ClN3O2/c22-18-12-17(21(26)25-15-16-4-2-1-3-5-16)13-20(14-18)27-11-10-24-19-6-8-23-9-7-19/h6-9,12-14,16H,1-5,10-11,15H2,(H,23,24)(H,25,26)
InChIKeyZWMJNKZLMKQJKW-UHFFFAOYSA-N
XLogP4.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
CID 18349094
3-chloro-N-cyclopentyl-N-(2,3-dihydroxypropyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18349034
3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 18348932
3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[3-(trifluoromethylsulfonylamino)propyl]benzamide
CID 18349067
3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-(3-pyrrolidin-1-ylpropyl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 18348847
3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
CID 18349210
N-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]-3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18349014
4-[2-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-(2-methylpropyl)amino]ethyl]benzoic acid
CID 18348880
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
3-chloro-N-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)ethoxy]-N-[3-(tetrazol-2-yl)propyl]benzamide
CID 18348841
3-chloro-N-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)ethoxy]-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 54410925
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide (CID 70213710) is 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide is O=C(NCC1CCCCC1)c1cc(Cl)cc(OCCNc2ccncc2)c1.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
The InChIKey is ZWMJNKZLMKQJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-18-12-17(21(26)25-15-16-4-2-1-3-5-16)13-20(14-18)27-11-10-24-19-6-8-23-9-7-19/h6-9,12-14,16H,1-5,10-11,15H2,(H,23,24)(H,25,26).
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide has a molecular weight of 387.91 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide is sourced from PubChem (CID 70213710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).