N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide

C14H12N6O — CID 23541030

IUPACN-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N6O/c21-14(16-9-10-2-1-7-15-8-10)12-5-3-11(4-6-12)13-17-19-20-18-13/h1-8H,9H2,(H,16,21)(H,17,18,19,20)
InChIKeyMFMFXHODISGTAU-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.19
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide

N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 23541030) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID23541030
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N6O/c21-14(16-9-10-2-1-7-15-8-10)12-5-3-11(4-6-12)13-17-19-20-18-13/h1-8H,9H2,(H,16,21)(H,17,18,19,20)
InChIKeyMFMFXHODISGTAU-UHFFFAOYSA-N
XLogP1.19
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide (CID 23541030) is N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide is O=C(NCc1cccnc1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is MFMFXHODISGTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c21-14(16-9-10-2-1-7-15-8-10)12-5-3-11(4-6-12)13-17-19-20-18-13/h1-8H,9H2,(H,16,21)(H,17,18,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 280.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 23541030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).