N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide

C17H21N3O4 — CID 94815352

IUPACN-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(COC[C@H](O)CNC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C17H21N3O4/c1-12-7-19-16(9-18-12)17(22)20-8-14(21)11-24-10-13-3-5-15(23-2)6-4-13/h3-7,9,14,21H,8,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyZLOYDAYXGCTINI-CQSZACIVSA-N
MW331.37 g/mol
LogP1.10
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide

N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide (PubChem CID 94815352) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
PubChem CID94815352
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(COC[C@H](O)CNC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C17H21N3O4/c1-12-7-19-16(9-18-12)17(22)20-8-14(21)11-24-10-13-3-5-15(23-2)6-4-13/h3-7,9,14,21H,8,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyZLOYDAYXGCTINI-CQSZACIVSA-N
XLogP1.10
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
CID 95158318
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide
CID 94822861
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 46820307
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42959845
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide (CID 94815352) is N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide is COc1ccc(COC[C@H](O)CNC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ZLOYDAYXGCTINI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-7-19-16(9-18-12)17(22)20-8-14(21)11-24-10-13-3-5-15(23-2)6-4-13/h3-7,9,14,21H,8,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide?
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 94815352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).