5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine

C20H26BrN3O2 — CID 24855078

IUPAC5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ccc(Br)cn3)CC2)ccc1OC
InChIInChI=1S/C20H26BrN3O2/c1-3-26-19-12-15(4-6-18(19)25-2)14-24-10-8-17(9-11-24)23-20-7-5-16(21)13-22-20/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,22,23)
InChIKeyGZRXLOKUPKRJJQ-UHFFFAOYSA-N
MW420.35 g/mol
LogP4.33
Rot. Bonds7

About 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine

5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine (PubChem CID 24855078) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
PubChem CID24855078
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ccc(Br)cn3)CC2)ccc1OC
InChIInChI=1S/C20H26BrN3O2/c1-3-26-19-12-15(4-6-18(19)25-2)14-24-10-8-17(9-11-24)23-20-7-5-16(21)13-22-20/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,22,23)
InChIKeyGZRXLOKUPKRJJQ-UHFFFAOYSA-N
XLogP4.33
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine 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

N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
CID 68779447
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
CID 24855171
methyl 5-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67402144
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-(2H-tetrazol-5-yl)pyridin-2-amine
CID 24855587
methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 24854736
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 24740748
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-methylsulfonylpyridin-2-amine
CID 67400612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine (CID 24855078) is 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine is CCOc1cc(CN2CCC(Nc3ccc(Br)cn3)CC2)ccc1OC.
What is the InChIKey of 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine?
The InChIKey is GZRXLOKUPKRJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c1-3-26-19-12-15(4-6-18(19)25-2)14-24-10-8-17(9-11-24)23-20-7-5-16(21)13-22-20/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,22,23).
What are the key properties of 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine?
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine has a molecular weight of 420.35 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 24855078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).