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

C18H24N4O3S — CID 113139775

IUPACN-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C18H24N4O3S/c1-21(13-8-16-6-11-19-12-7-16)18(23)9-14-22(26(2,24)25)15-17-5-3-4-10-20-17/h3-7,10-12H,8-9,13-15H2,1-2H3
InChIKeyJIYYMRYYUSJMOW-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.33
Rot. Bonds9

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

N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113139775) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113139775
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C18H24N4O3S/c1-21(13-8-16-6-11-19-12-7-16)18(23)9-14-22(26(2,24)25)15-17-5-3-4-10-20-17/h3-7,10-12H,8-9,13-15H2,1-2H3
InChIKeyJIYYMRYYUSJMOW-UHFFFAOYSA-N
XLogP1.33
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
N-methyl-N-(2-pyridin-4-ylethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329767
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 131892392
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide (CID 113139775) is N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCN(Cc1ccccn1)S(C)(=O)=O.
What is the InChIKey of N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is JIYYMRYYUSJMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-21(13-8-16-6-11-19-12-7-16)18(23)9-14-22(26(2,24)25)15-17-5-3-4-10-20-17/h3-7,10-12H,8-9,13-15H2,1-2H3.
What are the key properties of N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide?
N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 376.48 g/mol, XLogP of 1.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113139775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).