N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide

C15H17N3O2 — CID 111102422

IUPACN-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(O)Cc2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-8-17-14(10-16-11)15(20)18-9-13(19)7-12-5-3-2-4-6-12/h2-6,8,10,13,19H,7,9H2,1H3,(H,18,20)
InChIKeyJGPOSRJSXGSOJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.12
Rot. Bonds5

About N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide

N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide (PubChem CID 111102422) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
PubChem CID111102422
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(O)Cc2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-8-17-14(10-16-11)15(20)18-9-13(19)7-12-5-3-2-4-6-12/h2-6,8,10,13,19H,7,9H2,1H3,(H,18,20)
InChIKeyJGPOSRJSXGSOJJ-UHFFFAOYSA-N
XLogP1.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide 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

N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42959845
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
CID 71865584
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 111107196
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide (CID 111102422) is N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCC(O)Cc2ccccc2)cn1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is JGPOSRJSXGSOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-8-17-14(10-16-11)15(20)18-9-13(19)7-12-5-3-2-4-6-12/h2-6,8,10,13,19H,7,9H2,1H3,(H,18,20).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 111102422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).