3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine

C22H39N5O5S — CID 158124815

IUPAC3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCOCCCCc1cccnc1.COCCNCc1cnccn1.COCCNS(C)(=O)=O
InChIInChI=1S/C10H15NO.C8H13N3O.C4H11NO3S/c1-12-8-3-2-5-10-6-4-7-11-9-10;1-12-5-4-10-7-8-6-9-2-3-11-8;1-8-4-3-5-9(2,6)7/h4,6-7,9H,2-3,5,8H2,1H3;2-3,6,10H,4-5,7H2,1H3;5H,3-4H2,1-2H3
InChIKeyFSAPOJARAMJJIS-UHFFFAOYSA-N
MW485.65 g/mol
LogP1.45
Rot. Bonds14

About 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine

3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 158124815) has the molecular formula C22H39N5O5S and a molecular weight of 485.65 g/mol. Its IUPAC name is 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID158124815
Molecular FormulaC22H39N5O5S
Molecular Weight485.65 g/mol
Exact Mass485.27
IUPAC Name3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCOCCCCc1cccnc1.COCCNCc1cnccn1.COCCNS(C)(=O)=O
InChIInChI=1S/C10H15NO.C8H13N3O.C4H11NO3S/c1-12-8-3-2-5-10-6-4-7-11-9-10;1-12-5-4-10-7-8-6-9-2-3-11-8;1-8-4-3-5-9(2,6)7/h4,6-7,9H,2-3,5,8H2,1H3;2-3,6,10H,4-5,7H2,1H3;5H,3-4H2,1-2H3
InChIKeyFSAPOJARAMJJIS-UHFFFAOYSA-N
XLogP1.45
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445
1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine
CID 113407670
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 63190850
3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
CID 106007760
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine (CID 158124815) is 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine is COCCCCc1cccnc1.COCCNCc1cnccn1.COCCNS(C)(=O)=O.
What is the InChIKey of 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is FSAPOJARAMJJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C8H13N3O.C4H11NO3S/c1-12-8-3-2-5-10-6-4-7-11-9-10;1-12-5-4-10-7-8-6-9-2-3-11-8;1-8-4-3-5-9(2,6)7/h4,6-7,9H,2-3,5,8H2,1H3;2-3,6,10H,4-5,7H2,1H3;5H,3-4H2,1-2H3.
What are the key properties of 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine?
3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 485.65 g/mol, XLogP of 1.45, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)pyridine;N-(2-methoxyethyl)methanesulfonamide;2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 158124815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).