5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine

C16H21N3 — CID 104532378

IUPAC5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H21N3/c1-4-5-18-15-9-16(11-17-10-15)19-14-7-12(2)6-13(3)8-14/h6-11,18-19H,4-5H2,1-3H3
InChIKeyZQGSKBMQAZRKFN-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.26
Rot. Bonds5

About 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532378) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532378
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H21N3/c1-4-5-18-15-9-16(11-17-10-15)19-14-7-12(2)6-13(3)8-14/h6-11,18-19H,4-5H2,1-3H3
InChIKeyZQGSKBMQAZRKFN-UHFFFAOYSA-N
XLogP4.26
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223059
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532326
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine (CID 104532378) is 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is ZQGSKBMQAZRKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-5-18-15-9-16(11-17-10-15)19-14-7-12(2)6-13(3)8-14/h6-11,18-19H,4-5H2,1-3H3.
What are the key properties of 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 255.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).