N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

C21H26N2O2 — CID 100770758

IUPACN-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1
InChIInChI=1S/C21H26N2O2/c1-15-8-7-9-17(14-15)21(12-5-4-6-13-21)20(24)23-18-10-11-19(25-3)22-16(18)2/h7-11,14H,4-6,12-13H2,1-3H3,(H,23,24)
InChIKeyIOAFXLQKUGMZJY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.55
Rot. Bonds4

About N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100770758) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100770758
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1
InChIInChI=1S/C21H26N2O2/c1-15-8-7-9-17(14-15)21(12-5-4-6-13-21)20(24)23-18-10-11-19(25-3)22-16(18)2/h7-11,14H,4-6,12-13H2,1-3H3,(H,23,24)
InChIKeyIOAFXLQKUGMZJY-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718
1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100720091
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771590
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745430

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (CID 100770758) is N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1.
What is the InChIKey of N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is IOAFXLQKUGMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-7-9-17(14-15)21(12-5-4-6-13-21)20(24)23-18-10-11-19(25-3)22-16(18)2/h7-11,14H,4-6,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100770758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).