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

C18H16N4O2 — CID 59472341

IUPAC3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/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)
InChIKeyYSKKFDXJOZABGN-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.47
Rot. Bonds4

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

3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59472341) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59472341
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/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)
InChIKeyYSKKFDXJOZABGN-UHFFFAOYSA-N
XLogP2.47
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 59472341) is 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is YSKKFDXJOZABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/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).
What are the key properties of 3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.47, 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 is sourced from PubChem (CID 59472341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).