1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

C19H22N2O — CID 60542569

IUPAC1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3ccncc3)CCCCC2)c1
InChIInChI=1S/C19H22N2O/c1-15-6-5-7-16(14-15)19(10-3-2-4-11-19)18(22)21-17-8-12-20-13-9-17/h5-9,12-14H,2-4,10-11H2,1H3,(H,20,21,22)
InChIKeyFCEHJKGGBICCQA-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 60542569) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID60542569
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3ccncc3)CCCCC2)c1
InChIInChI=1S/C19H22N2O/c1-15-6-5-7-16(14-15)19(10-3-2-4-11-19)18(22)21-17-8-12-20-13-9-17/h5-9,12-14H,2-4,10-11H2,1H3,(H,20,21,22)
InChIKeyFCEHJKGGBICCQA-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770758
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661111
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100769468
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
methyl 5-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100719723
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 60542569) is 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is Cc1cccc(C2(C(=O)Nc3ccncc3)CCCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is FCEHJKGGBICCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-6-5-7-16(14-15)19(10-3-2-4-11-19)18(22)21-17-8-12-20-13-9-17/h5-9,12-14H,2-4,10-11H2,1H3,(H,20,21,22).
What are the key properties of 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 60542569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).