5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine

C14H17N3 — CID 104532392

IUPAC5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCCc1ccccc1Nc1cncc(NC)c1
InChIInChI=1S/C14H17N3/c1-3-11-6-4-5-7-14(11)17-13-8-12(15-2)9-16-10-13/h4-10,15,17H,3H2,1-2H3
InChIKeyHGZNFSWWSIAOJO-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.43
Rot. Bonds4

About 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine

5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104532392) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID104532392
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCCc1ccccc1Nc1cncc(NC)c1
InChIInChI=1S/C14H17N3/c1-3-11-6-4-5-7-14(11)17-13-8-12(15-2)9-16-10-13/h4-10,15,17H,3H2,1-2H3
InChIKeyHGZNFSWWSIAOJO-UHFFFAOYSA-N
XLogP3.43
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243411
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104533871
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-(2-ethylphenyl)-1H-pyrazol-4-amine
CID 125449698
ethyl 4-[5-(2-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238304
N-(2-ethylphenyl)-1-methylpyrazol-4-amine
CID 125450471

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine (CID 104532392) is 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine is CCc1ccccc1Nc1cncc(NC)c1.
What is the InChIKey of 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is HGZNFSWWSIAOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-11-6-4-5-7-14(11)17-13-8-12(15-2)9-16-10-13/h4-10,15,17H,3H2,1-2H3.
What are the key properties of 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104532392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).