2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine

C18H24ClN3O2 — CID 118222574

IUPAC2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine
SMILESCCNc1c(CNc2cc(OC)cc(OC)c2)cnc(Cl)c1CC
InChIInChI=1S/C18H24ClN3O2/c1-5-16-17(20-6-2)12(11-22-18(16)19)10-21-13-7-14(23-3)9-15(8-13)24-4/h7-9,11,21H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyHYSKHJOKFHWGTB-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.36
Rot. Bonds8

About 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine

2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine (PubChem CID 118222574) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine
PubChem CID118222574
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine
SMILESCCNc1c(CNc2cc(OC)cc(OC)c2)cnc(Cl)c1CC
InChIInChI=1S/C18H24ClN3O2/c1-5-16-17(20-6-2)12(11-22-18(16)19)10-21-13-7-14(23-3)9-15(8-13)24-4/h7-9,11,21H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyHYSKHJOKFHWGTB-UHFFFAOYSA-N
XLogP4.36
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine?
The IUPAC name of 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine (CID 118222574) is 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine is CCNc1c(CNc2cc(OC)cc(OC)c2)cnc(Cl)c1CC.
What is the InChIKey of 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine?
The InChIKey is HYSKHJOKFHWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-5-16-17(20-6-2)12(11-22-18(16)19)10-21-13-7-14(23-3)9-15(8-13)24-4/h7-9,11,21H,5-6,10H2,1-4H3,(H,20,22).
What are the key properties of 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine?
2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine has a molecular weight of 349.86 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine is sourced from PubChem (CID 118222574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).