N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide

C20H24N2O — CID 59673793

IUPACN-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
SMILESCC1CCCC(NC(=O)c2ccc(-c3ccccn3)cc2)C1C
InChIInChI=1S/C20H24N2O/c1-14-6-5-8-18(15(14)2)22-20(23)17-11-9-16(10-12-17)19-7-3-4-13-21-19/h3-4,7,9-15,18H,5-6,8H2,1-2H3,(H,22,23)
InChIKeyNBEUWTPFLMMSSN-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.30
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide

N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide (PubChem CID 59673793) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
PubChem CID59673793
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
SMILESCC1CCCC(NC(=O)c2ccc(-c3ccccn3)cc2)C1C
InChIInChI=1S/C20H24N2O/c1-14-6-5-8-18(15(14)2)22-20(23)17-11-9-16(10-12-17)19-7-3-4-13-21-19/h3-4,7,9-15,18H,5-6,8H2,1-2H3,(H,22,23)
InChIKeyNBEUWTPFLMMSSN-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide
CID 66463063
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide (CID 59673793) is N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide is CC1CCCC(NC(=O)c2ccc(-c3ccccn3)cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide?
The InChIKey is NBEUWTPFLMMSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-6-5-8-18(15(14)2)22-20(23)17-11-9-16(10-12-17)19-7-3-4-13-21-19/h3-4,7,9-15,18H,5-6,8H2,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide?
N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide has a molecular weight of 308.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 59673793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).