cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

C17H26N4O2 — CID 91914220

IUPACcyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C17H26N4O2/c1-3-10-20(2)15-16(19-9-8-18-15)23-14-7-11-21(12-14)17(22)13-5-4-6-13/h8-9,13-14H,3-7,10-12H2,1-2H3
InChIKeyHMNILRLFMXZBJH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.10
Rot. Bonds6

About cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 91914220) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
PubChem CID91914220
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Namecyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C17H26N4O2/c1-3-10-20(2)15-16(19-9-8-18-15)23-14-7-11-21(12-14)17(22)13-5-4-6-13/h8-9,13-14H,3-7,10-12H2,1-2H3
InChIKeyHMNILRLFMXZBJH-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91914172
(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 100659423
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757122
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757116
(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636070
(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914160
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833
N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 110875627

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (CID 91914220) is cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is CCCN(C)c1nccnc1OC1CCN(C(=O)C2CCC2)C1.
What is the InChIKey of cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The InChIKey is HMNILRLFMXZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-10-20(2)15-16(19-9-8-18-15)23-14-7-11-21(12-14)17(22)13-5-4-6-13/h8-9,13-14H,3-7,10-12H2,1-2H3.
What are the key properties of cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91914220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).