N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide

C17H21N3O3 — CID 9110688

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnccn2)cc1OCC
InChIInChI=1S/C17H21N3O3/c1-3-22-15-6-5-13(11-16(15)23-4-2)7-8-20-17(21)14-12-18-9-10-19-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeySFIXKWWVMAMKJI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.25
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 9110688) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID9110688
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnccn2)cc1OCC
InChIInChI=1S/C17H21N3O3/c1-3-22-15-6-5-13(11-16(15)23-4-2)7-8-20-17(21)14-12-18-9-10-19-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeySFIXKWWVMAMKJI-UHFFFAOYSA-N
XLogP2.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 9110688) is N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide is CCOc1ccc(CCNC(=O)c2cnccn2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SFIXKWWVMAMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-22-15-6-5-13(11-16(15)23-4-2)7-8-20-17(21)14-12-18-9-10-19-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 9110688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).