2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine

C16H21N3S — CID 43707765

IUPAC2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
SMILESCSc1ccc(C(C)Nc2cccnc2N(C)C)cc1
InChIInChI=1S/C16H21N3S/c1-12(13-7-9-14(20-4)10-8-13)18-15-6-5-11-17-16(15)19(2)3/h5-12,18H,1-4H3
InChIKeyFLEWYHNDKRMVLG-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds5

About 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine

2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine (PubChem CID 43707765) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
PubChem CID43707765
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
SMILESCSc1ccc(C(C)Nc2cccnc2N(C)C)cc1
InChIInChI=1S/C16H21N3S/c1-12(13-7-9-14(20-4)10-8-13)18-15-6-5-11-17-16(15)19(2)3/h5-12,18H,1-4H3
InChIKeyFLEWYHNDKRMVLG-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-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

2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
CID 43726515
2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 43707843
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
3-N-(1,1-difluoropropan-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 102868575
3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707770
3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707870
2,3-dichloro-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43096870
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
3-N-[1-(3-bromothiophen-2-yl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784239
3-bromo-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 107629620
2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
CID 43707996
2-N,2-N-dimethyl-3-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridine-2,3-diamine
CID 43784227

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine (CID 43707765) is 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine is CSc1ccc(C(C)Nc2cccnc2N(C)C)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
The InChIKey is FLEWYHNDKRMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12(13-7-9-14(20-4)10-8-13)18-15-6-5-11-17-16(15)19(2)3/h5-12,18H,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine has a molecular weight of 287.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 43707765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).