3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide

C18H16N4O2 — CID 59471893

IUPAC3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c19-17-16(18(24)21-14-4-2-1-3-5-14)22-15(10-20-17)13-8-6-12(11-23)7-9-13/h1-10,23H,11H2,(H2,19,20)(H,21,24)
InChIKeyIWECCJAPMHJIGI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.47
Rot. Bonds4

About 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59471893) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59471893
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c19-17-16(18(24)21-14-4-2-1-3-5-14)22-15(10-20-17)13-8-6-12(11-23)7-9-13/h1-10,23H,11H2,(H2,19,20)(H,21,24)
InChIKeyIWECCJAPMHJIGI-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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Related Compounds

6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 158114259
methyl 3-amino-6-[4-(hydroxymethyl)phenyl]pyrazine-2-carboxylate
CID 156816726
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
CID 167705710
3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
CID 52937150
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 59471893) is 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is IWECCJAPMHJIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-17-16(18(24)21-14-4-2-1-3-5-14)22-15(10-20-17)13-8-6-12(11-23)7-9-13/h1-10,23H,11H2,(H2,19,20)(H,21,24).
What are the key properties of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-(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-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59471893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).