N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide

C16H17ClN4O3 — CID 90637561

IUPACN-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1cncc(OC2CCN(C(=O)Nc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H17ClN4O3/c1-23-14-8-18-9-15(20-14)24-13-6-7-21(10-13)16(22)19-12-4-2-11(17)3-5-12/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,22)
InChIKeyDQRZEJHEBPNYOY-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.82
Rot. Bonds4

About N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide

N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90637561) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
PubChem CID90637561
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1cncc(OC2CCN(C(=O)Nc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H17ClN4O3/c1-23-14-8-18-9-15(20-14)24-13-6-7-21(10-13)16(22)19-12-4-2-11(17)3-5-12/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,22)
InChIKeyDQRZEJHEBPNYOY-UHFFFAOYSA-N
XLogP2.82
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 90636300
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639320
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90637267

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (CID 90637561) is N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is COc1cncc(OC2CCN(C(=O)Nc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is DQRZEJHEBPNYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-23-14-8-18-9-15(20-14)24-13-6-7-21(10-13)16(22)19-12-4-2-11(17)3-5-12/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90637561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).