N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine

C14H14Cl2N2 — CID 561463

IUPACN-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine
SMILESCc1nc(C)c(Cl)c(NCc2ccccc2)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-9-12(15)14(13(16)10(2)18-9)17-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyTYOAQRZHQRTVGF-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.62
Rot. Bonds3

About N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine

N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine (PubChem CID 561463) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine
PubChem CID561463
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine
SMILESCc1nc(C)c(Cl)c(NCc2ccccc2)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-9-12(15)14(13(16)10(2)18-9)17-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyTYOAQRZHQRTVGF-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine?
The IUPAC name of N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine (CID 561463) is N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine.
What is the SMILES notation for N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine?
The canonical SMILES for N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine is Cc1nc(C)c(Cl)c(NCc2ccccc2)c1Cl.
What is the InChIKey of N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine?
The InChIKey is TYOAQRZHQRTVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9-12(15)14(13(16)10(2)18-9)17-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine?
N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine has a molecular weight of 281.19 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dichloro-2,6-dimethylpyridin-4-amine is sourced from PubChem (CID 561463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).