3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C15H23N3O3S — CID 113136290

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-17(11-7-13-5-9-16-10-6-13)15(19)8-12-18(14-3-4-14)22(2,20)21/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3
InChIKeyREJBQLLJHVLYPQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.90
Rot. Bonds8

About 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113136290) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113136290
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-17(11-7-13-5-9-16-10-6-13)15(19)8-12-18(14-3-4-14)22(2,20)21/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3
InChIKeyREJBQLLJHVLYPQ-UHFFFAOYSA-N
XLogP0.90
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 113139775
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113121619
3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113146975
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109014143
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113136290) is 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCN(C1CC1)S(C)(=O)=O.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is REJBQLLJHVLYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17(11-7-13-5-9-16-10-6-13)15(19)8-12-18(14-3-4-14)22(2,20)21/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 325.43 g/mol, XLogP of 0.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113136290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).