N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide

C16H18N4O3 — CID 167785183

IUPACN-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(O)c(NC(=O)C2CCCN2c2cnccn2)c1
InChIInChI=1S/C16H18N4O3/c1-23-11-4-5-14(21)12(9-11)19-16(22)13-3-2-8-20(13)15-10-17-6-7-18-15/h4-7,9-10,13,21H,2-3,8H2,1H3,(H,19,22)
InChIKeyQLZNODZMIRHVOT-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.80
Rot. Bonds4

About N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide

N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 167785183) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID167785183
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(O)c(NC(=O)C2CCCN2c2cnccn2)c1
InChIInChI=1S/C16H18N4O3/c1-23-11-4-5-14(21)12(9-11)19-16(22)13-3-2-8-20(13)15-10-17-6-7-18-15/h4-7,9-10,13,21H,2-3,8H2,1H3,(H,19,22)
InChIKeyQLZNODZMIRHVOT-UHFFFAOYSA-N
XLogP1.80
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(1-pyrazin-2-ylpiperidin-2-yl)ethanone
CID 63845687
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 97143492
(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide
CID 95151458
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
CID 71305108
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 167785183) is N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide is COc1ccc(O)c(NC(=O)C2CCCN2c2cnccn2)c1.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QLZNODZMIRHVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-11-4-5-14(21)12(9-11)19-16(22)13-3-2-8-20(13)15-10-17-6-7-18-15/h4-7,9-10,13,21H,2-3,8H2,1H3,(H,19,22).
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide?
N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methoxyphenyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167785183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).