N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide

C17H21N3O2 — CID 110795702

IUPACN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1c(C)cc(CCNC(=O)c2cnccn2)c(C)c1C
InChIInChI=1S/C17H21N3O2/c1-11-9-14(12(2)13(3)16(11)22-4)5-6-20-17(21)15-10-18-7-8-19-15/h7-10H,5-6H2,1-4H3,(H,20,21)
InChIKeyLRINSOPOOKXYGO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide

N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 110795702) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID110795702
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1c(C)cc(CCNC(=O)c2cnccn2)c(C)c1C
InChIInChI=1S/C17H21N3O2/c1-11-9-14(12(2)13(3)16(11)22-4)5-6-20-17(21)15-10-18-7-8-19-15/h7-10H,5-6H2,1-4H3,(H,20,21)
InChIKeyLRINSOPOOKXYGO-UHFFFAOYSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795705
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 110794198
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110769367
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide (CID 110795702) is N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide is COc1c(C)cc(CCNC(=O)c2cnccn2)c(C)c1C.
What is the InChIKey of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is LRINSOPOOKXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-9-14(12(2)13(3)16(11)22-4)5-6-20-17(21)15-10-18-7-8-19-15/h7-10H,5-6H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide?
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110795702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).