3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide

C22H23N5O3 — CID 59472135

IUPAC3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCOCCN(C)C(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O3/c1-27(11-12-30-2)22(29)16-8-6-7-15(13-16)18-14-24-20(23)19(26-18)21(28)25-17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H2,23,24)(H,25,28)
InChIKeyWFRYQZPDQGHNNL-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.70
Rot. Bonds7

About 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59472135) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59472135
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCOCCN(C)C(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O3/c1-27(11-12-30-2)22(29)16-8-6-7-15(13-16)18-14-24-20(23)19(26-18)21(28)25-17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H2,23,24)(H,25,28)
InChIKeyWFRYQZPDQGHNNL-UHFFFAOYSA-N
XLogP2.70
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 59472135) is 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide is COCCN(C)C(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is WFRYQZPDQGHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-27(11-12-30-2)22(29)16-8-6-7-15(13-16)18-14-24-20(23)19(26-18)21(28)25-17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H2,23,24)(H,25,28).
What are the key properties of 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59472135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).