4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide

C14H12N6O2 — CID 155550362

IUPAC4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C14H12N6O2/c1-22-13-3-2-10(8-12(13)20-9-16-18-19-20)14(21)17-11-4-6-15-7-5-11/h2-9H,1H3,(H,15,17,21)
InChIKeyJPACWPHNWABNPH-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.32
Rot. Bonds4

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

4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide (PubChem CID 155550362) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
PubChem CID155550362
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C14H12N6O2/c1-22-13-3-2-10(8-12(13)20-9-16-18-19-20)14(21)17-11-4-6-15-7-5-11/h2-9H,1H3,(H,15,17,21)
InChIKeyJPACWPHNWABNPH-UHFFFAOYSA-N
XLogP1.32
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide (CID 155550362) is 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide is COc1ccc(C(=O)Nc2ccncc2)cc1-n1cnnn1.
What is the InChIKey of 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
The InChIKey is JPACWPHNWABNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-22-13-3-2-10(8-12(13)20-9-16-18-19-20)14(21)17-11-4-6-15-7-5-11/h2-9H,1H3,(H,15,17,21).
What are the key properties of 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide?
4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide has a molecular weight of 296.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 155550362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).