4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine

C14H17N3 — CID 114250635

IUPAC4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine
SMILESCCc1cc(Nc2ccncc2N)ccc1C
InChIInChI=1S/C14H17N3/c1-3-11-8-12(5-4-10(11)2)17-14-6-7-16-9-13(14)15/h4-9H,3,15H2,1-2H3,(H,16,17)
InChIKeyLCSXAHZASVVNJQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.28
Rot. Bonds3

About 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine

4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine (PubChem CID 114250635) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine
PubChem CID114250635
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine
SMILESCCc1cc(Nc2ccncc2N)ccc1C
InChIInChI=1S/C14H17N3/c1-3-11-8-12(5-4-10(11)2)17-14-6-7-16-9-13(14)15/h4-9H,3,15H2,1-2H3,(H,16,17)
InChIKeyLCSXAHZASVVNJQ-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
CID 29066314
2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine
CID 114250637
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid
CID 114250389
4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115126655
ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine
CID 171557532
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
3-N-(4-methylphenyl)pyridine-3,4-diamine
CID 13441291

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine (CID 114250635) is 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine is CCc1cc(Nc2ccncc2N)ccc1C.
What is the InChIKey of 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine?
The InChIKey is LCSXAHZASVVNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-11-8-12(5-4-10(11)2)17-14-6-7-16-9-13(14)15/h4-9H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine?
4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 114250635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).