3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C23H21N5O2 — CID 55761729

IUPAC3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H21N5O2/c1-16-10-19(11-17(2)22(16)30-13-18-4-3-9-24-12-18)23(29)27-20-5-7-21(8-6-20)28-15-25-14-26-28/h3-12,14-15H,13H2,1-2H3,(H,27,29)
InChIKeyFYJVAMJNGLFPIU-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.11
Rot. Bonds6

About 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 55761729) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID55761729
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H21N5O2/c1-16-10-19(11-17(2)22(16)30-13-18-4-3-9-24-12-18)23(29)27-20-5-7-21(8-6-20)28-15-25-14-26-28/h3-12,14-15H,13H2,1-2H3,(H,27,29)
InChIKeyFYJVAMJNGLFPIU-UHFFFAOYSA-N
XLogP4.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121031
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
CID 55762087
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55859602
N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995384
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46456498
3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121357
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 55761729) is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is FYJVAMJNGLFPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-10-19(11-17(2)22(16)30-13-18-4-3-9-24-12-18)23(29)27-20-5-7-21(8-6-20)28-15-25-14-26-28/h3-12,14-15H,13H2,1-2H3,(H,27,29).
What are the key properties of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55761729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).