3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine

C14H17N3O — CID 104532189

IUPAC3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(OC)cc2)c1
InChIInChI=1S/C14H17N3O/c1-3-16-12-8-13(10-15-9-12)17-11-4-6-14(18-2)7-5-11/h4-10,16-17H,3H2,1-2H3
InChIKeyQWRZKJCHHRXLDJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.27
Rot. Bonds5

About 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine (PubChem CID 104532189) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
PubChem CID104532189
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(OC)cc2)c1
InChIInChI=1S/C14H17N3O/c1-3-16-12-8-13(10-15-9-12)17-11-4-6-14(18-2)7-5-11/h4-10,16-17H,3H2,1-2H3
InChIKeyQWRZKJCHHRXLDJ-UHFFFAOYSA-N
XLogP3.27
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
3-N-ethyl-5-N-(4-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534077
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
[4-[(5-methoxy-3-pyridinyl)amino]phenyl]methanol
CID 146636202
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532128

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine (CID 104532189) is 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine is CCNc1cncc(Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine?
The InChIKey is QWRZKJCHHRXLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-16-12-8-13(10-15-9-12)17-11-4-6-14(18-2)7-5-11/h4-10,16-17H,3H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine has a molecular weight of 243.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine is sourced from PubChem (CID 104532189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).