3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen

C18H22N4O2 — CID 158114259

IUPAC3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H16N4O2.3H2/c19-17-16(18(24)21-13-7-2-1-3-8-13)22-15(10-20-17)14-9-5-4-6-12(14)11-23;;;/h1-10,23H,11H2,(H2,19,20)(H,21,24);3*1H
InChIKeyFQUOXGUPJSUSOJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen

3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 158114259) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID158114259
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H16N4O2.3H2/c19-17-16(18(24)21-13-7-2-1-3-8-13)22-15(10-20-17)14-9-5-4-6-12(14)11-23;;;/h1-10,23H,11H2,(H2,19,20)(H,21,24);3*1H
InChIKeyFQUOXGUPJSUSOJ-UHFFFAOYSA-N
XLogP3.21
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937254
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
CID 52937150
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (CID 158114259) is 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen is Nc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is FQUOXGUPJSUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.3H2/c19-17-16(18(24)21-13-7-2-1-3-8-13)22-15(10-20-17)14-9-5-4-6-12(14)11-23;;;/h1-10,23H,11H2,(H2,19,20)(H,21,24);3*1H.
What are the key properties of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 326.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158114259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).