2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide

C16H16N6O2 — CID 155566572

IUPAC2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3nn[nH]n3)c2)ccc1C(N)=O
InChIInChI=1S/C16H16N6O2/c1-9(2)24-14-6-10(3-4-13(14)15(17)23)11-5-12(8-18-7-11)16-19-21-22-20-16/h3-9H,1-2H3,(H2,17,23)(H,19,20,21,22)
InChIKeyYXYNMHMVPRQKBT-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.81
Rot. Bonds5

About 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide

2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide (PubChem CID 155566572) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide
PubChem CID155566572
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3nn[nH]n3)c2)ccc1C(N)=O
InChIInChI=1S/C16H16N6O2/c1-9(2)24-14-6-10(3-4-13(14)15(17)23)11-5-12(8-18-7-11)16-19-21-22-20-16/h3-9H,1-2H3,(H2,17,23)(H,19,20,21,22)
InChIKeyYXYNMHMVPRQKBT-UHFFFAOYSA-N
XLogP1.81
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide (CID 155566572) is 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide is CC(C)Oc1cc(-c2cncc(-c3nn[nH]n3)c2)ccc1C(N)=O.
What is the InChIKey of 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide?
The InChIKey is YXYNMHMVPRQKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9(2)24-14-6-10(3-4-13(14)15(17)23)11-5-12(8-18-7-11)16-19-21-22-20-16/h3-9H,1-2H3,(H2,17,23)(H,19,20,21,22).
What are the key properties of 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide?
2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 155566572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).