N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide

C20H23N5O3 — CID 90636747

IUPACN-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCC(Oc3nccnc3C#N)C2)cc1
InChIInChI=1S/C20H23N5O3/c1-2-3-12-27-16-6-4-15(5-7-16)24-20(26)25-11-8-17(14-25)28-19-18(13-21)22-9-10-23-19/h4-7,9-10,17H,2-3,8,11-12,14H2,1H3,(H,24,26)
InChIKeyKUZOXDJVGSJVPX-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.21
Rot. Bonds7

About N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide

N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90636747) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide
PubChem CID90636747
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCC(Oc3nccnc3C#N)C2)cc1
InChIInChI=1S/C20H23N5O3/c1-2-3-12-27-16-6-4-15(5-7-16)24-20(26)25-11-8-17(14-25)28-19-18(13-21)22-9-10-23-19/h4-7,9-10,17H,2-3,8,11-12,14H2,1H3,(H,24,26)
InChIKeyKUZOXDJVGSJVPX-UHFFFAOYSA-N
XLogP3.21
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162767
(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90636901
3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626791
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161062
3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636556
3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626783
(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 100652570
3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755756

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide (CID 90636747) is N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide is CCCCOc1ccc(NC(=O)N2CCC(Oc3nccnc3C#N)C2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is KUZOXDJVGSJVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-3-12-27-16-6-4-15(5-7-16)24-20(26)25-11-8-17(14-25)28-19-18(13-21)22-9-10-23-19/h4-7,9-10,17H,2-3,8,11-12,14H2,1H3,(H,24,26).
What are the key properties of N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide?
N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90636747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).