1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide

C22H28ClN3O2 — CID 100781335

IUPAC1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1
InChIInChI=1S/C22H28ClN3O2/c1-26(2)14-15-28-20-11-10-19(16-24-20)25-21(27)22(12-4-3-5-13-22)17-6-8-18(23)9-7-17/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,27)
InChIKeyRPHOXIQBEGTOET-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.52
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide

1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 100781335) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID100781335
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1
InChIInChI=1S/C22H28ClN3O2/c1-26(2)14-15-28-20-11-10-19(16-24-20)25-21(27)22(12-4-3-5-13-22)17-6-8-18(23)9-7-17/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,27)
InChIKeyRPHOXIQBEGTOET-UHFFFAOYSA-N
XLogP4.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide 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

1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100769840
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100770358
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770596
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100675916
1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100677257
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769274

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide (CID 100781335) is 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide is CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is RPHOXIQBEGTOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-26(2)14-15-28-20-11-10-19(16-24-20)25-21(27)22(12-4-3-5-13-22)17-6-8-18(23)9-7-17/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 401.94 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100781335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).