1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide

C17H18N4O3 — CID 86929912

IUPAC1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C17H18N4O3/c1-12(22)21-9-3-6-15(21)17(23)20-13-4-2-5-14(10-13)24-16-11-18-7-8-19-16/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3,(H,20,23)
InChIKeyGXSYWXLWLDOOIP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.22
Rot. Bonds4

About 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide

1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 86929912) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID86929912
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C17H18N4O3/c1-12(22)21-9-3-6-15(21)17(23)20-13-4-2-5-14(10-13)24-16-11-18-7-8-19-16/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3,(H,20,23)
InChIKeyGXSYWXLWLDOOIP-UHFFFAOYSA-N
XLogP2.22
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119287653
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 42461345
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 126783382
1-(furan-2-carbonyl)-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 39263707
(2S)-1-acetyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 51942540
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide (CID 86929912) is 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1cccc(Oc2cnccn2)c1.
What is the InChIKey of 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is GXSYWXLWLDOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(22)21-9-3-6-15(21)17(23)20-13-4-2-5-14(10-13)24-16-11-18-7-8-19-16/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide?
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86929912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).