N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide

C16H16N6O2 — CID 71830498

IUPACN-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide
SMILESCc1cccc(NC(=O)c2cccc(OCc3nnnn3C)c2)n1
InChIInChI=1S/C16H16N6O2/c1-11-5-3-8-14(17-11)18-16(23)12-6-4-7-13(9-12)24-10-15-19-20-21-22(15)2/h3-9H,10H2,1-2H3,(H,17,18,23)
InChIKeyXHNJFFWGAFPMDL-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.74
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide

N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide (PubChem CID 71830498) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide
PubChem CID71830498
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide
SMILESCc1cccc(NC(=O)c2cccc(OCc3nnnn3C)c2)n1
InChIInChI=1S/C16H16N6O2/c1-11-5-3-8-14(17-11)18-16(23)12-6-4-7-13(9-12)24-10-15-19-20-21-22(15)2/h3-9H,10H2,1-2H3,(H,17,18,23)
InChIKeyXHNJFFWGAFPMDL-UHFFFAOYSA-N
XLogP1.74
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide (CID 71830498) is N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide is Cc1cccc(NC(=O)c2cccc(OCc3nnnn3C)c2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide?
The InChIKey is XHNJFFWGAFPMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-11-5-3-8-14(17-11)18-16(23)12-6-4-7-13(9-12)24-10-15-19-20-21-22(15)2/h3-9H,10H2,1-2H3,(H,17,18,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide?
N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide has a molecular weight of 324.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-[(1-methyltetrazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 71830498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).