N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide

C14H12N6O — CID 28934785

IUPACN-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccncc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C14H12N6O/c21-14(16-9-11-5-7-15-8-6-11)12-3-1-2-4-13(12)20-10-17-18-19-20/h1-8,10H,9H2,(H,16,21)
InChIKeyADXNAKUVTPMRIN-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.99
Rot. Bonds4

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

N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 28934785) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID28934785
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccncc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C14H12N6O/c21-14(16-9-11-5-7-15-8-6-11)12-3-1-2-4-13(12)20-10-17-18-19-20/h1-8,10H,9H2,(H,16,21)
InChIKeyADXNAKUVTPMRIN-UHFFFAOYSA-N
XLogP0.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544922
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399330
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 86206831
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide (CID 28934785) is N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide is O=C(NCc1ccncc1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is ADXNAKUVTPMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c21-14(16-9-11-5-7-15-8-6-11)12-3-1-2-4-13(12)20-10-17-18-19-20/h1-8,10H,9H2,(H,16,21).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide?
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 280.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 28934785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).