N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide

C15H17N3O3 — CID 42959845

IUPACN-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1C(O)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C15H17N3O3/c1-10-7-17-12(8-16-10)15(20)18-9-13(19)11-5-3-4-6-14(11)21-2/h3-8,13,19H,9H2,1-2H3,(H,18,20)
InChIKeyABCZTIDXWVQHBU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.26
Rot. Bonds5

About N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide

N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 42959845) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID42959845
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1C(O)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C15H17N3O3/c1-10-7-17-12(8-16-10)15(20)18-9-13(19)11-5-3-4-6-14(11)21-2/h3-8,13,19H,9H2,1-2H3,(H,18,20)
InChIKeyABCZTIDXWVQHBU-UHFFFAOYSA-N
XLogP1.26
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
CID 71865584

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide (CID 42959845) is N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide is COc1ccccc1C(O)CNC(=O)c1cnc(C)cn1.
What is the InChIKey of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ABCZTIDXWVQHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-17-12(8-16-10)15(20)18-9-13(19)11-5-3-4-6-14(11)21-2/h3-8,13,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42959845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).