3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide

C20H20N4O2 — CID 91210304

IUPAC3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(OCCc3ccccc3)c2)nc1C(N)=O
InChIInChI=1S/C20H20N4O2/c21-12-17-19(20(22)25)24-18(13-23-17)15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12,21H2,(H2,22,25)
InChIKeyOFSCBZKTGGJACR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.32
Rot. Bonds7

About 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide

3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 91210304) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID91210304
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(OCCc3ccccc3)c2)nc1C(N)=O
InChIInChI=1S/C20H20N4O2/c21-12-17-19(20(22)25)24-18(13-23-17)15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12,21H2,(H2,22,25)
InChIKeyOFSCBZKTGGJACR-UHFFFAOYSA-N
XLogP2.32
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 91250316
3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 91502013
3-(aminomethyl)-6-[3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91338091
3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
CID 91597918
3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
CID 91281479
3-(aminomethyl)-6-[5-(benzylcarbamoyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 91376256
3-(2-phenylethoxy)benzamide
CID 17135006
3-(aminomethyl)-6-[3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91147539
4-[3-[3-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853486
3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 91026645
4-methyl-2-[3-(2-phenylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991003
2-[3-(2-phenylethoxy)phenoxy]ethylhydrazine
CID 170002736

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide (CID 91210304) is 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide is NCc1ncc(-c2cccc(OCCc3ccccc3)c2)nc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is OFSCBZKTGGJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-12-17-19(20(22)25)24-18(13-23-17)15-7-4-8-16(11-15)26-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12,21H2,(H2,22,25).
What are the key properties of 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide?
3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91210304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).