1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide

C22H27ClN2O3 — CID 100771590

IUPAC1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1
InChIInChI=1S/C22H27ClN2O3/c1-16-19(10-11-20(24-16)28-15-14-27-2)25-21(26)22(12-6-3-7-13-22)17-8-4-5-9-18(17)23/h4-5,8-11H,3,6-7,12-15H2,1-2H3,(H,25,26)
InChIKeyGZZKTNGEWGTYRX-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.91
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide

1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 100771590) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID100771590
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1
InChIInChI=1S/C22H27ClN2O3/c1-16-19(10-11-20(24-16)28-15-14-27-2)25-21(26)22(12-6-3-7-13-22)17-8-4-5-9-18(17)23/h4-5,8-11H,3,6-7,12-15H2,1-2H3,(H,25,26)
InChIKeyGZZKTNGEWGTYRX-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770113
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771052
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100770896
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776979
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770758
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide
CID 100773295

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide (CID 100771590) is 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide is COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is GZZKTNGEWGTYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-16-19(10-11-20(24-16)28-15-14-27-2)25-21(26)22(12-6-3-7-13-22)17-8-4-5-9-18(17)23/h4-5,8-11H,3,6-7,12-15H2,1-2H3,(H,25,26).
What are the key properties of 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide?
1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 402.92 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100771590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).