3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide

C14H23N3O4S — CID 113137826

IUPAC3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOCCCN(CCC(=O)NCc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O4S/c1-21-10-4-8-17(22(2,19)20)9-6-14(18)16-12-13-5-3-7-15-11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3,(H,16,18)
InChIKeyQZQVOKFXICAWLG-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.39
Rot. Bonds10

About 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide

3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113137826) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113137826
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOCCCN(CCC(=O)NCc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O4S/c1-21-10-4-8-17(22(2,19)20)9-6-14(18)16-12-13-5-3-7-15-11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3,(H,16,18)
InChIKeyQZQVOKFXICAWLG-UHFFFAOYSA-N
XLogP0.39
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137660
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137961
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113145189
N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139911
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide (CID 113137826) is 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide is COCCCN(CCC(=O)NCc1cccnc1)S(C)(=O)=O.
What is the InChIKey of 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QZQVOKFXICAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-21-10-4-8-17(22(2,19)20)9-6-14(18)16-12-13-5-3-7-15-11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3,(H,16,18).
What are the key properties of 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 329.42 g/mol, XLogP of 0.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113137826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).