4-N-(4-ethoxyphenyl)pyridine-3,4-diamine

C13H15N3O — CID 29066417

IUPAC4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
SMILESCCOc1ccc(Nc2ccncc2N)cc1
InChIInChI=1S/C13H15N3O/c1-2-17-11-5-3-10(4-6-11)16-13-7-8-15-9-12(13)14/h3-9H,2,14H2,1H3,(H,15,16)
InChIKeyXBTNAMUIGZXNEH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.81
Rot. Bonds4

About 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine

4-N-(4-ethoxyphenyl)pyridine-3,4-diamine (PubChem CID 29066417) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
PubChem CID29066417
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
SMILESCCOc1ccc(Nc2ccncc2N)cc1
InChIInChI=1S/C13H15N3O/c1-2-17-11-5-3-10(4-6-11)16-13-7-8-15-9-12(13)14/h3-9H,2,14H2,1H3,(H,15,16)
InChIKeyXBTNAMUIGZXNEH-UHFFFAOYSA-N
XLogP2.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine
CID 114250635
3-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13441292
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
N-(4-ethoxyphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256247
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
CID 118027357
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine (CID 29066417) is 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine is CCOc1ccc(Nc2ccncc2N)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine?
The InChIKey is XBTNAMUIGZXNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-17-11-5-3-10(4-6-11)16-13-7-8-15-9-12(13)14/h3-9H,2,14H2,1H3,(H,15,16).
What are the key properties of 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine?
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine has a molecular weight of 229.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 29066417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).