5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine

C15H19N3O2S — CID 104532326

IUPAC5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-8-17-13-9-14(11-16-10-13)18-12-4-6-15(7-5-12)21(2,19)20/h4-7,9-11,17-18H,3,8H2,1-2H3
InChIKeyWFODUWJQCZJDHZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.05
Rot. Bonds6

About 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532326) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532326
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-8-17-13-9-14(11-16-10-13)18-12-4-6-15(7-5-12)21(2,19)20/h4-7,9-11,17-18H,3,8H2,1-2H3
InChIKeyWFODUWJQCZJDHZ-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
4-methylsulfonyl-N-nonylaniline
CID 43129285
5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
CID 133319936
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine (CID 104532326) is 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is WFODUWJQCZJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-8-17-13-9-14(11-16-10-13)18-12-4-6-15(7-5-12)21(2,19)20/h4-7,9-11,17-18H,3,8H2,1-2H3.
What are the key properties of 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 305.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).