5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide

C18H22BrN3O — CID 175125862

IUPAC5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(/c1cc(Br)c(OCCc2ccccc2)nc1C)N(C)CC
InChIInChI=1S/C18H22BrN3O/c1-4-22(3)17(20)15-12-16(19)18(21-13(15)2)23-11-10-14-8-6-5-7-9-14/h5-9,12,20H,4,10-11H2,1-3H3/b20-17-
InChIKeyYKYZORFPODNYHY-JZJYNLBNSA-N
MW376.30 g/mol
LogP4.05
Rot. Bonds6

About 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide

5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide (PubChem CID 175125862) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide
PubChem CID175125862
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(/c1cc(Br)c(OCCc2ccccc2)nc1C)N(C)CC
InChIInChI=1S/C18H22BrN3O/c1-4-22(3)17(20)15-12-16(19)18(21-13(15)2)23-11-10-14-8-6-5-7-9-14/h5-9,12,20H,4,10-11H2,1-3H3/b20-17-
InChIKeyYKYZORFPODNYHY-JZJYNLBNSA-N
XLogP4.05
TPSA49.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide?
The IUPAC name of 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide (CID 175125862) is 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide?
The canonical SMILES for 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide is [H]/N=C(/c1cc(Br)c(OCCc2ccccc2)nc1C)N(C)CC.
What is the InChIKey of 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide?
The InChIKey is YKYZORFPODNYHY-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-4-22(3)17(20)15-12-16(19)18(21-13(15)2)23-11-10-14-8-6-5-7-9-14/h5-9,12,20H,4,10-11H2,1-3H3/b20-17-.
What are the key properties of 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide?
5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide has a molecular weight of 376.30 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N,2-dimethyl-6-(2-phenylethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 175125862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).