N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide

C20H16N6O2 — CID 55960600

IUPACN-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16N6O2/c27-20(16-6-9-18(10-7-16)26-14-22-24-25-26)23-17-8-11-19(21-12-17)28-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,27)
InChIKeyXWAJDZSVDKYWRZ-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.89
Rot. Bonds6

About N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide

N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 55960600) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
PubChem CID55960600
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16N6O2/c27-20(16-6-9-18(10-7-16)26-14-22-24-25-26)23-17-8-11-19(21-12-17)28-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,27)
InChIKeyXWAJDZSVDKYWRZ-UHFFFAOYSA-N
XLogP2.89
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenylmethoxy-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 90574013
benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
CID 122584873
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
3-phenylmethoxy-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 146021794
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30882374
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
2-bromo-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879442
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55960739
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide (CID 55960600) is N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide is O=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is XWAJDZSVDKYWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-20(16-6-9-18(10-7-16)26-14-22-24-25-26)23-17-8-11-19(21-12-17)28-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,27).
What are the key properties of N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide?
N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 372.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55960600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).