3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide

C15H18N4O2 — CID 119121687

IUPAC3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1CCN(C)C(=O)c1nccnc1N
InChIInChI=1S/C15H18N4O2/c1-19(15(20)13-14(16)18-9-8-17-13)10-7-11-5-3-4-6-12(11)21-2/h3-6,8-9H,7,10H2,1-2H3,(H2,16,18)
InChIKeyVLHQLSCOMRDLPY-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide

3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 119121687) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
PubChem CID119121687
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1CCN(C)C(=O)c1nccnc1N
InChIInChI=1S/C15H18N4O2/c1-19(15(20)13-14(16)18-9-8-17-13)10-7-11-5-3-4-6-12(11)21-2/h3-6,8-9H,7,10H2,1-2H3,(H2,16,18)
InChIKeyVLHQLSCOMRDLPY-UHFFFAOYSA-N
XLogP1.38
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84512305
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
CID 115172715
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide
CID 86788144
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
3-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146380303
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715
5-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110313435
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide (CID 119121687) is 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide is COc1ccccc1CCN(C)C(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is VLHQLSCOMRDLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19(15(20)13-14(16)18-9-8-17-13)10-7-11-5-3-4-6-12(11)21-2/h3-6,8-9H,7,10H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 119121687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).