2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine

C16H22N4O — CID 115376297

IUPAC2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(Nc2ccc(C)c(N(C)C)c2)ccc1N
InChIInChI=1S/C16H22N4O/c1-5-21-16-13(17)8-9-15(19-16)18-12-7-6-11(2)14(10-12)20(3)4/h6-10H,5,17H2,1-4H3,(H,18,19)
InChIKeyZBXBZRPBTATJEF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.18
Rot. Bonds5

About 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine

2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine (PubChem CID 115376297) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine
PubChem CID115376297
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(Nc2ccc(C)c(N(C)C)c2)ccc1N
InChIInChI=1S/C16H22N4O/c1-5-21-16-13(17)8-9-15(19-16)18-12-7-6-11(2)14(10-12)20(3)4/h6-10H,5,17H2,1-4H3,(H,18,19)
InChIKeyZBXBZRPBTATJEF-UHFFFAOYSA-N
XLogP3.18
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[3-(dimethylamino)-4-methylphenyl]-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-(4-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 55118976
6-ethoxy-2-N-phenylpyridine-2,5-diamine
CID 43261284
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
CID 82945420
6-ethoxy-2-N-(4-methylsulfonylphenyl)pyridine-2,5-diamine
CID 43261499
2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine
CID 43378425
6-ethoxy-2-N-(4-propan-2-yloxyphenyl)pyridine-2,5-diamine
CID 43261775
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939
6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine
CID 115474367
2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 63406586
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
CID 115376291

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine (CID 115376297) is 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine is CCOc1nc(Nc2ccc(C)c(N(C)C)c2)ccc1N.
What is the InChIKey of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine?
The InChIKey is ZBXBZRPBTATJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-21-16-13(17)8-9-15(19-16)18-12-7-6-11(2)14(10-12)20(3)4/h6-10H,5,17H2,1-4H3,(H,18,19).
What are the key properties of 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine?
2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 115376297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).