N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C22H19N5O2 — CID 68746808

IUPACN-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cn[nH]n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-5-6-17(21-13-24-27-26-21)12-20(15)25-22(28)16-7-9-19(10-8-16)29-14-18-4-2-3-11-23-18/h2-13H,14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyADZLBXGJXGRMOE-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.01
Rot. Bonds6

About N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 68746808) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID68746808
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cn[nH]n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-5-6-17(21-13-24-27-26-21)12-20(15)25-22(28)16-7-9-19(10-8-16)29-14-18-4-2-3-11-23-18/h2-13H,14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyADZLBXGJXGRMOE-UHFFFAOYSA-N
XLogP4.01
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233579
N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 86648378
N-[2-chloro-5-(1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68743448
4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
CID 86648382
N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 174620648
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide
CID 68747636
4-methoxy-N-[2-nitro-5-(2H-triazol-4-yl)phenyl]benzamide
CID 59736952
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 67379971

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 68746808) is N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2cn[nH]n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is ADZLBXGJXGRMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-5-6-17(21-13-24-27-26-21)12-20(15)25-22(28)16-7-9-19(10-8-16)29-14-18-4-2-3-11-23-18/h2-13H,14H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 385.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 68746808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).