N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide

C21H17N5O2 — CID 167928589

IUPACN-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESO=C(Nc1nncn1-c1ccccc1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C21H17N5O2/c27-20(24-21-25-23-15-26(21)18-4-2-1-3-5-18)17-6-8-19(9-7-17)28-14-16-10-12-22-13-11-16/h1-13,15H,14H2,(H,24,25,27)
InChIKeyXCIMICDMVHNJST-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.49
Rot. Bonds6

About N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide

N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 167928589) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID167928589
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESO=C(Nc1nncn1-c1ccccc1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C21H17N5O2/c27-20(24-21-25-23-15-26(21)18-4-2-1-3-5-18)17-6-8-19(9-7-17)28-14-16-10-12-22-13-11-16/h1-13,15H,14H2,(H,24,25,27)
InChIKeyXCIMICDMVHNJST-UHFFFAOYSA-N
XLogP3.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 34954288
N-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 36998699
N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 37133440
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 122108901
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
4-cyano-N-(4-phenyl-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide
CID 75445109
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide (CID 167928589) is N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide is O=C(Nc1nncn1-c1ccccc1)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is XCIMICDMVHNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-20(24-21-25-23-15-26(21)18-4-2-1-3-5-18)17-6-8-19(9-7-17)28-14-16-10-12-22-13-11-16/h1-13,15H,14H2,(H,24,25,27).
What are the key properties of N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 167928589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).