methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride

C23H28Cl2N4O3 — CID 71184657

IUPACmethyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N2CCN(C3CCC(CN)(c4cccc(Cl)c4)CC3)C2=O)nc1.Cl
InChIInChI=1S/C23H27ClN4O3.ClH/c1-31-21(29)16-5-6-20(26-14-16)28-12-11-27(22(28)30)19-7-9-23(15-25,10-8-19)17-3-2-4-18(24)13-17;/h2-6,13-14,19H,7-12,15,25H2,1H3;1H
InChIKeyMTOFCGJFULDWTG-UHFFFAOYSA-N
MW479.41 g/mol
LogP4.02
Rot. Bonds5

About methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride

methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride (PubChem CID 71184657) has the molecular formula C23H28Cl2N4O3 and a molecular weight of 479.41 g/mol. Its IUPAC name is methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride
PubChem CID71184657
Molecular FormulaC23H28Cl2N4O3
Molecular Weight479.41 g/mol
Exact Mass478.15
IUPAC Namemethyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N2CCN(C3CCC(CN)(c4cccc(Cl)c4)CC3)C2=O)nc1.Cl
InChIInChI=1S/C23H27ClN4O3.ClH/c1-31-21(29)16-5-6-20(26-14-16)28-12-11-27(22(28)30)19-7-9-23(15-25,10-8-19)17-3-2-4-18(24)13-17;/h2-6,13-14,19H,7-12,15,25H2,1H3;1H
InChIKeyMTOFCGJFULDWTG-UHFFFAOYSA-N
XLogP4.02
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride 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 methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride (CID 71184657) is methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride is COC(=O)c1ccc(N2CCN(C3CCC(CN)(c4cccc(Cl)c4)CC3)C2=O)nc1.Cl.
What is the InChIKey of methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride?
The InChIKey is MTOFCGJFULDWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3.ClH/c1-31-21(29)16-5-6-20(26-14-16)28-12-11-27(22(28)30)19-7-9-23(15-25,10-8-19)17-3-2-4-18(24)13-17;/h2-6,13-14,19H,7-12,15,25H2,1H3;1H.
What are the key properties of methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride?
methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride has a molecular weight of 479.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 71184657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).