N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide

C21H18F3N3O2 — CID 91044468

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NCC2=CCC(=O)N=C2)cc1C(F)(F)F
InChIInChI=1S/C21H18F3N3O2/c1-13-6-8-15(10-17(13)21(22,23)24)27-20(29)16-4-2-3-5-18(16)25-11-14-7-9-19(28)26-12-14/h2-8,10,12,25H,9,11H2,1H3,(H,27,29)
InChIKeyGVOYPVINHQSNFE-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.61
Rot. Bonds5

About N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide (PubChem CID 91044468) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide
PubChem CID91044468
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NCC2=CCC(=O)N=C2)cc1C(F)(F)F
InChIInChI=1S/C21H18F3N3O2/c1-13-6-8-15(10-17(13)21(22,23)24)27-20(29)16-4-2-3-5-18(16)25-11-14-7-9-19(28)26-12-14/h2-8,10,12,25H,9,11H2,1H3,(H,27,29)
InChIKeyGVOYPVINHQSNFE-UHFFFAOYSA-N
XLogP4.61
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide (CID 91044468) is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide is Cc1ccc(NC(=O)c2ccccc2NCC2=CCC(=O)N=C2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide?
The InChIKey is GVOYPVINHQSNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-13-6-8-15(10-17(13)21(22,23)24)27-20(29)16-4-2-3-5-18(16)25-11-14-7-9-19(28)26-12-14/h2-8,10,12,25H,9,11H2,1H3,(H,27,29).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide has a molecular weight of 401.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[(2-oxo-3H-pyridin-5-yl)methylamino]benzamide is sourced from PubChem (CID 91044468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).