5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine

C16H21N3O2 — CID 104532597

IUPAC5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C16H21N3O2/c1-17-13-9-14(11-18-10-13)19-7-6-12-4-5-15(20-2)16(8-12)21-3/h4-5,8-11,17,19H,6-7H2,1-3H3
InChIKeyFYNKJSDNKXHQOP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.80
Rot. Bonds7

About 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine

5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine (PubChem CID 104532597) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
PubChem CID104532597
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C16H21N3O2/c1-17-13-9-14(11-18-10-13)19-7-6-12-4-5-15(20-2)16(8-12)21-3/h4-5,8-11,17,19H,6-7H2,1-3H3
InChIKeyFYNKJSDNKXHQOP-UHFFFAOYSA-N
XLogP2.80
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237774
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109237779
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055041
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
CID 112984101

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine (CID 104532597) is 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine is CNc1cncc(NCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine?
The InChIKey is FYNKJSDNKXHQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-13-9-14(11-18-10-13)19-7-6-12-4-5-15(20-2)16(8-12)21-3/h4-5,8-11,17,19H,6-7H2,1-3H3.
What are the key properties of 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine?
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine has a molecular weight of 287.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104532597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).