4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide

C17H18N6O2 — CID 155513158

IUPAC4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C17H18N6O2/c1-12(2)10-25-16-4-3-13(9-15(16)23-11-19-21-22-23)17(24)20-14-5-7-18-8-6-14/h3-9,11-12H,10H2,1-2H3,(H,18,20,24)
InChIKeyURHRZMBWXUNYKB-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.34
Rot. Bonds6

About 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide

4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide (PubChem CID 155513158) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
PubChem CID155513158
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C17H18N6O2/c1-12(2)10-25-16-4-3-13(9-15(16)23-11-19-21-22-23)17(24)20-14-5-7-18-8-6-14/h3-9,11-12H,10H2,1-2H3,(H,18,20,24)
InChIKeyURHRZMBWXUNYKB-UHFFFAOYSA-N
XLogP2.34
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide (CID 155513158) is 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide is CC(C)COc1ccc(C(=O)Nc2ccncc2)cc1-n1cnnn1.
What is the InChIKey of 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
The InChIKey is URHRZMBWXUNYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12(2)10-25-16-4-3-13(9-15(16)23-11-19-21-22-23)17(24)20-14-5-7-18-8-6-14/h3-9,11-12H,10H2,1-2H3,(H,18,20,24).
What are the key properties of 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide has a molecular weight of 338.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 155513158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).