N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide

C14H13N7O2 — CID 122302044

IUPACN-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ncc(NC(=O)c2cccc(-n3cnnn3)c2)cn1
InChIInChI=1S/C14H13N7O2/c1-2-23-14-15-7-11(8-16-14)18-13(22)10-4-3-5-12(6-10)21-9-17-19-20-21/h3-9H,2H2,1H3,(H,18,22)
InChIKeyRRNVQCAPDNMFAD-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.10
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide

N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 122302044) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID122302044
Molecular FormulaC14H13N7O2
Molecular Weight311.31 g/mol
Exact Mass311.11
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ncc(NC(=O)c2cccc(-n3cnnn3)c2)cn1
InChIInChI=1S/C14H13N7O2/c1-2-23-14-15-7-11(8-16-14)18-13(22)10-4-3-5-12(6-10)21-9-17-19-20-21/h3-9H,2H2,1H3,(H,18,22)
InChIKeyRRNVQCAPDNMFAD-UHFFFAOYSA-N
XLogP1.10
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 8883299
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
CID 4968506
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide (CID 122302044) is N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide is CCOc1ncc(NC(=O)c2cccc(-n3cnnn3)c2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is RRNVQCAPDNMFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c1-2-23-14-15-7-11(8-16-14)18-13(22)10-4-3-5-12(6-10)21-9-17-19-20-21/h3-9H,2H2,1H3,(H,18,22).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 311.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 122302044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).