3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide

C16H16N6O2 — CID 71830494

IUPAC3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
SMILESCn1nnnc1COc1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H16N6O2/c1-22-15(19-20-21-22)11-24-14-6-2-5-13(8-14)16(23)18-10-12-4-3-7-17-9-12/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyYXIRNTUDSQBWSQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.11
Rot. Bonds6

About 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide

3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 71830494) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID71830494
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
SMILESCn1nnnc1COc1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H16N6O2/c1-22-15(19-20-21-22)11-24-14-6-2-5-13(8-14)16(23)18-10-12-4-3-7-17-9-12/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyYXIRNTUDSQBWSQ-UHFFFAOYSA-N
XLogP1.11
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
CID 167886841
3-[(1-methyltetrazol-5-yl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 91946133
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide (CID 71830494) is 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide is Cn1nnnc1COc1cccc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YXIRNTUDSQBWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-22-15(19-20-21-22)11-24-14-6-2-5-13(8-14)16(23)18-10-12-4-3-7-17-9-12/h2-9H,10-11H2,1H3,(H,18,23).
What are the key properties of 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 324.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 71830494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).