N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C24H24F3N5O3 — CID 170948530

IUPACN-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCn1cnnc1C1(c2cccc(NC(=O)c3cc(C=O)cn(CC(F)(F)F)c3=O)c2)CC(C)(C)C1
InChIInChI=1S/C24H24F3N5O3/c1-22(2)11-23(12-22,21-30-28-14-31(21)3)16-5-4-6-17(8-16)29-19(34)18-7-15(10-33)9-32(20(18)35)13-24(25,26)27/h4-10,14H,11-13H2,1-3H3,(H,29,34)
InChIKeyPJUSQSAQUFUQMA-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.71
Rot. Bonds6

About N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 170948530) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID170948530
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC NameN-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCn1cnnc1C1(c2cccc(NC(=O)c3cc(C=O)cn(CC(F)(F)F)c3=O)c2)CC(C)(C)C1
InChIInChI=1S/C24H24F3N5O3/c1-22(2)11-23(12-22,21-30-28-14-31(21)3)16-5-4-6-17(8-16)29-19(34)18-7-15(10-33)9-32(20(18)35)13-24(25,26)27/h4-10,14H,11-13H2,1-3H3,(H,29,34)
InChIKeyPJUSQSAQUFUQMA-UHFFFAOYSA-N
XLogP3.71
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[1-(2-methylpropylamino)ethyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948554
5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948645
5-[(2-methylbutylamino)methyl]-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 174312480
1-(cyclopropylmethyl)-N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
CID 170948546
N-[5-[6,6-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)spiro[3.3]heptan-2-yl]-2-fluorophenyl]-5-[[(3-fluoro-3-methylbutyl)amino]methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948514
N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2,2-dimethylpropylamino)methyl]-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 170948713
N-[5-[6,6-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)spiro[3.3]heptan-2-yl]-2-fluorophenyl]-5-[(3-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948604
1-(cyclopropylmethyl)-N-[5-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-2-fluorophenyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
CID 170948741
N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948545
5-[[(3S)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948676
N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-[[(2S)-2-methylmorpholin-4-yl]methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948508
N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]quinoline-8-carboxamide
CID 175924220

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 170948530) is N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cn1cnnc1C1(c2cccc(NC(=O)c3cc(C=O)cn(CC(F)(F)F)c3=O)c2)CC(C)(C)C1.
What is the InChIKey of N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is PJUSQSAQUFUQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-22(2)11-23(12-22,21-30-28-14-31(21)3)16-5-4-6-17(8-16)29-19(34)18-7-15(10-33)9-32(20(18)35)13-24(25,26)27/h4-10,14H,11-13H2,1-3H3,(H,29,34).
What are the key properties of N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170948530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).