N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide

C16H19N3O2 — CID 136624968

IUPACN-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
SMILESCc1nc(-c2ccc(O)cc2)cnc1NC(=O)CC(C)C
InChIInChI=1S/C16H19N3O2/c1-10(2)8-15(21)19-16-11(3)18-14(9-17-16)12-4-6-13(20)7-5-12/h4-7,9-10,20H,8H2,1-3H3,(H,17,19,21)
InChIKeyOCVIWYBSFIQNKO-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds4

About N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide

N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide (PubChem CID 136624968) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
PubChem CID136624968
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
SMILESCc1nc(-c2ccc(O)cc2)cnc1NC(=O)CC(C)C
InChIInChI=1S/C16H19N3O2/c1-10(2)8-15(21)19-16-11(3)18-14(9-17-16)12-4-6-13(20)7-5-12/h4-7,9-10,20H,8H2,1-3H3,(H,17,19,21)
InChIKeyOCVIWYBSFIQNKO-UHFFFAOYSA-N
XLogP3.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123569135
2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
CID 143000180
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
CID 136624987
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
CID 89009351
N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001080
2-cyclohexyl-N-[5-(4-methoxyphenyl)-3-methylpyrazin-2-yl]acetamide
CID 143000085
N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
CID 137101630
N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
CID 112555256

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide (CID 136624968) is N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide is Cc1nc(-c2ccc(O)cc2)cnc1NC(=O)CC(C)C.
What is the InChIKey of N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide?
The InChIKey is OCVIWYBSFIQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)8-15(21)19-16-11(3)18-14(9-17-16)12-4-6-13(20)7-5-12/h4-7,9-10,20H,8H2,1-3H3,(H,17,19,21).
What are the key properties of N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide?
N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide has a molecular weight of 285.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 136624968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).