N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide

C20H20F3N3O2 — CID 149080870

IUPACN-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide
SMILESCC1(CC(=Nc2cccc(=O)[nH]2)NC(=O)c2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C20H20F3N3O2/c1-19(10-3-11-19)12-16(24-15-4-2-5-17(27)25-15)26-18(28)13-6-8-14(9-7-13)20(21,22)23/h2,4-9H,3,10-12H2,1H3,(H2,24,25,26,27,28)
InChIKeyQQHNGBPLQPRMMR-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.43
Rot. Bonds4

About N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide

N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide (PubChem CID 149080870) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide
PubChem CID149080870
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide
SMILESCC1(CC(=Nc2cccc(=O)[nH]2)NC(=O)c2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C20H20F3N3O2/c1-19(10-3-11-19)12-16(24-15-4-2-5-17(27)25-15)26-18(28)13-6-8-14(9-7-13)20(21,22)23/h2,4-9H,3,10-12H2,1H3,(H2,24,25,26,27,28)
InChIKeyQQHNGBPLQPRMMR-UHFFFAOYSA-N
XLogP4.43
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[N'-cycloheptyl-N-(6-oxo-1H-pyridin-2-yl)carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 57378361
N-[C-[[(6-oxo-1H-pyridin-2-yl)amino]methyl]-N-[4-(trifluoromethyl)cyclohexyl]carbonimidoyl]-4-(trifluoromethyl)benzamide
CID 118528997
3,4-difluoro-N-[N'-(6-oxo-1H-pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide
CID 137101591
N-[N-[1-(2-chlorophenyl)ethyl]-C-[[(6-oxo-1H-pyridin-2-yl)amino]methyl]carbonimidoyl]-4-(trifluoromethyl)benzamide
CID 118528999
4-chloro-N-[C-[(6-oxo-1H-pyridin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]benzamide
CID 158605809
N-[N'-[(3,5-difluoro-4-methylphenyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 118529007
N-[N-(3-chloro-5-fluorophenyl)-N'-(6-oxo-1H-pyridin-2-yl)carbamimidoyl]-3-(trifluoromethyl)benzamide
CID 137141235
N-[N-acetyl-N-[(3-chloro-4-fluorophenyl)methyl]-N'-(6-oxo-1H-pyridin-2-yl)carbamimidoyl]-4-methylbenzamide
CID 161382976
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106829569
N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110907156

Frequently Asked Questions

What is the IUPAC name of N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide (CID 149080870) is N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide is CC1(CC(=Nc2cccc(=O)[nH]2)NC(=O)c2ccc(C(F)(F)F)cc2)CCC1.
What is the InChIKey of N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QQHNGBPLQPRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-19(10-3-11-19)12-16(24-15-4-2-5-17(27)25-15)26-18(28)13-6-8-14(9-7-13)20(21,22)23/h2,4-9H,3,10-12H2,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide?
N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide has a molecular weight of 391.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-[(1-methylcyclobutyl)methyl]-N-(6-oxo-1H-pyridin-2-yl)carbonimidoyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 149080870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).