3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide

C14H16N4O2 — CID 18136300

IUPAC3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1nccnc1N
InChIInChI=1S/C14H16N4O2/c1-18(9-10-20-11-5-3-2-4-6-11)14(19)12-13(15)17-8-7-16-12/h2-8H,9-10H2,1H3,(H2,15,17)
InChIKeyFXJXSQUFLRUEKN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.21
Rot. Bonds5

About 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide

3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide (PubChem CID 18136300) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
PubChem CID18136300
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1nccnc1N
InChIInChI=1S/C14H16N4O2/c1-18(9-10-20-11-5-3-2-4-6-11)14(19)12-13(15)17-8-7-16-12/h2-8H,9-10H2,1H3,(H2,15,17)
InChIKeyFXJXSQUFLRUEKN-UHFFFAOYSA-N
XLogP1.21
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 119121687
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
CID 65229723

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide (CID 18136300) is 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide is CN(CCOc1ccccc1)C(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
The InChIKey is FXJXSQUFLRUEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(9-10-20-11-5-3-2-4-6-11)14(19)12-13(15)17-8-7-16-12/h2-8H,9-10H2,1H3,(H2,15,17).
What are the key properties of 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 18136300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).