2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine

C17H23N3O — CID 43378425

IUPAC2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine
SMILESCCCCc1ccc(Nc2ccc(N)c(OCC)n2)cc1
InChIInChI=1S/C17H23N3O/c1-3-5-6-13-7-9-14(10-8-13)19-16-12-11-15(18)17(20-16)21-4-2/h7-12H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyIDKJMSHYUKTRSO-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.15
Rot. Bonds7

About 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine

2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine (PubChem CID 43378425) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine
PubChem CID43378425
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine
SMILESCCCCc1ccc(Nc2ccc(N)c(OCC)n2)cc1
InChIInChI=1S/C17H23N3O/c1-3-5-6-13-7-9-14(10-8-13)19-16-12-11-15(18)17(20-16)21-4-2/h7-12H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyIDKJMSHYUKTRSO-UHFFFAOYSA-N
XLogP4.15
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-2-N-phenylpyridine-2,5-diamine
CID 43261284
6-ethoxy-2-N-(4-propan-2-yloxyphenyl)pyridine-2,5-diamine
CID 43261775
6-ethoxy-2-N-(4-methylsulfonylphenyl)pyridine-2,5-diamine
CID 43261499
6-N-(4-propylphenyl)pyridine-2,3,6-triamine
CID 79827008
2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
CID 62301180
2-N-(4-ethylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261633
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 55118976
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine
CID 115376297
6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine (CID 43378425) is 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine is CCCCc1ccc(Nc2ccc(N)c(OCC)n2)cc1.
What is the InChIKey of 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine?
The InChIKey is IDKJMSHYUKTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-5-6-13-7-9-14(10-8-13)19-16-12-11-15(18)17(20-16)21-4-2/h7-12H,3-6,18H2,1-2H3,(H,19,20).
What are the key properties of 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine?
2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine has a molecular weight of 285.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 43378425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).