N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide

C22H24N2O3 — CID 122368606

IUPACN-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(CC2(C(=O)NC(=O)c3ccccn3)CCCCC2)cc1
InChIInChI=1S/C22H24N2O3/c1-16(25)18-10-8-17(9-11-18)15-22(12-4-2-5-13-22)21(27)24-20(26)19-7-3-6-14-23-19/h3,6-11,14H,2,4-5,12-13,15H2,1H3,(H,24,26,27)
InChIKeyXRLUTLXXAFESNN-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.73
Rot. Bonds5

About N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide

N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide (PubChem CID 122368606) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide
PubChem CID122368606
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(CC2(C(=O)NC(=O)c3ccccn3)CCCCC2)cc1
InChIInChI=1S/C22H24N2O3/c1-16(25)18-10-8-17(9-11-18)15-22(12-4-2-5-13-22)21(27)24-20(26)19-7-3-6-14-23-19/h3,6-11,14H,2,4-5,12-13,15H2,1H3,(H,24,26,27)
InChIKeyXRLUTLXXAFESNN-UHFFFAOYSA-N
XLogP3.73
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide (CID 122368606) is N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide is CC(=O)c1ccc(CC2(C(=O)NC(=O)c3ccccn3)CCCCC2)cc1.
What is the InChIKey of N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
The InChIKey is XRLUTLXXAFESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16(25)18-10-8-17(9-11-18)15-22(12-4-2-5-13-22)21(27)24-20(26)19-7-3-6-14-23-19/h3,6-11,14H,2,4-5,12-13,15H2,1H3,(H,24,26,27).
What are the key properties of N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 122368606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).