N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide

C16H17N7O3 — CID 647090

IUPACN-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cnccn1
InChIInChI=1S/C16H17N7O3/c1-3-25-14-8-13(23-10-19-21-22-23)15(26-4-2)7-11(14)20-16(24)12-9-17-5-6-18-12/h5-10H,3-4H2,1-2H3,(H,20,24)
InChIKeyKELIMBSNWJDVEH-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.50
Rot. Bonds7

About N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide

N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 647090) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID647090
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC NameN-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cnccn1
InChIInChI=1S/C16H17N7O3/c1-3-25-14-8-13(23-10-19-21-22-23)15(26-4-2)7-11(14)20-16(24)12-9-17-5-6-18-12/h5-10H,3-4H2,1-2H3,(H,20,24)
InChIKeyKELIMBSNWJDVEH-UHFFFAOYSA-N
XLogP1.50
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide
CID 23857785
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 110792705
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
[4-(tetrazol-1-yl)phenyl] pyrazine-2-carboxylate
CID 16551468
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate
CID 118626475
2-ethoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 2579568
N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635315
5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
CID 107371883
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (CID 647090) is N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cnccn1.
What is the InChIKey of N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is KELIMBSNWJDVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-3-25-14-8-13(23-10-19-21-22-23)15(26-4-2)7-11(14)20-16(24)12-9-17-5-6-18-12/h5-10H,3-4H2,1-2H3,(H,20,24).
What are the key properties of N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 647090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).