N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide

C20H17N5O2 — CID 16799191

IUPACN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-18-10-8-17(9-11-18)25-19(22-23-24-25)13-21-20(26)16-7-6-14-4-2-3-5-15(14)12-16/h2-12H,13H2,1H3,(H,21,26)
InChIKeyZHJSLBWXKONOIU-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.75
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide

N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide (PubChem CID 16799191) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide
PubChem CID16799191
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-18-10-8-17(9-11-18)25-19(22-23-24-25)13-21-20(26)16-7-6-14-4-2-3-5-15(14)12-16/h2-12H,13H2,1H3,(H,21,26)
InChIKeyZHJSLBWXKONOIU-UHFFFAOYSA-N
XLogP2.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

3-[5-ethyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473863
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-4-methoxybenzamide
CID 7216966
3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473855
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2-methoxybenzamide
CID 7216964
N-((4-(4-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-1-naphthamide
CID 4129206
[2-({2-[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]vinyl}amino)phenyl](phenyl)methanone
CID 6293650
4-butoxy-N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)benzamide
CID 16030190
8-[[1-(4-Methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360803
2-(1-benzylpiperidin-4-yl)-3-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)isoindolin-1-one
CID 53301702
N-{4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl}benzamide
CID 8072868
N-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)methyl)-3-(trifluoromethyl)benzamide
CID 16799188
2-ethoxy-N-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}naphthalene-1-carboxamide
CID 16799291

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide (CID 16799191) is N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide is COc1ccc(-n2nnnc2CNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is ZHJSLBWXKONOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-18-10-8-17(9-11-18)25-19(22-23-24-25)13-21-20(26)16-7-6-14-4-2-3-5-15(14)12-16/h2-12H,13H2,1H3,(H,21,26).
What are the key properties of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 16799191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).