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

C21H24N2O2 — CID 122368598

IUPACN-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide
SMILESCc1ccc(CC2(C(=O)NC(=O)c3ccccn3)CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-8-10-17(11-9-16)15-21(12-4-2-5-13-21)20(25)23-19(24)18-7-3-6-14-22-18/h3,6-11,14H,2,4-5,12-13,15H2,1H3,(H,23,24,25)
InChIKeyUBQQGJRLHRYLIW-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.84
Rot. Bonds4

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

N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide (PubChem CID 122368598) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide
PubChem CID122368598
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide
SMILESCc1ccc(CC2(C(=O)NC(=O)c3ccccn3)CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-8-10-17(11-9-16)15-21(12-4-2-5-13-21)20(25)23-19(24)18-7-3-6-14-22-18/h3,6-11,14H,2,4-5,12-13,15H2,1H3,(H,23,24,25)
InChIKeyUBQQGJRLHRYLIW-UHFFFAOYSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide (CID 122368598) is N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide is Cc1ccc(CC2(C(=O)NC(=O)c3ccccn3)CCCCC2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
The InChIKey is UBQQGJRLHRYLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-8-10-17(11-9-16)15-21(12-4-2-5-13-21)20(25)23-19(24)18-7-3-6-14-22-18/h3,6-11,14H,2,4-5,12-13,15H2,1H3,(H,23,24,25).
What are the key properties of N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide?
N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 122368598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).