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

C18H24N4O2 — CID 157329850

IUPAC3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H16N4O2.4H2/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);4*1H
InChIKeyBFDUPXCDCLNVMC-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.45
Rot. Bonds4

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

3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 157329850) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID157329850
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H16N4O2.4H2/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);4*1H
InChIKeyBFDUPXCDCLNVMC-UHFFFAOYSA-N
XLogP3.45
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-n,6-diphenylpyrazine-2-carboxamide
CID 46834296
3-amino-N-phenyl-6-(m-tolyl)pyrazine-2-carboxamide
CID 52937362
3-amino-6-(4-cyanophenyl)-N-phenylpyrazine-2-carboxamide
CID 52937363
3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937455
3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide
CID 135362975
3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 135980525
3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyrazine-2-carboxamide
CID 156291933
3-amino-N-cyclohexyl-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 9861510
(R)-6-(2-hydroxy-1-phenylethylamino)-N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide
CID 44438590
3-amino-6-(3-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937359
3-amino-N-cyclohexyl-6-[4-[(dimethylamino)methyl]phenyl]pyrazine-2-carboxamide
CID 168278781
3-amino-N-(4-hydroxycyclohexyl)-6-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 168283204

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (CID 157329850) is 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen is Nc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is BFDUPXCDCLNVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.4H2/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);4*1H.
What are the key properties of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 328.42 g/mol, XLogP of 3.45, 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;molecular hydrogen is sourced from PubChem (CID 157329850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).