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

C23H22F3N3O2 — CID 24916855

IUPAC2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCCc1ccc(NC(=O)c2ccccc2NCC2=CCC(=O)N=C2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O2/c1-2-5-16-9-10-17(12-19(16)23(24,25)26)29-22(31)18-6-3-4-7-20(18)27-13-15-8-11-21(30)28-14-15/h3-4,6-10,12,14,27H,2,5,11,13H2,1H3,(H,29,31)
InChIKeyHZLOMBXYHBZPIC-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.25
Rot. Bonds7

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

2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 24916855) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID24916855
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCCc1ccc(NC(=O)c2ccccc2NCC2=CCC(=O)N=C2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O2/c1-2-5-16-9-10-17(12-19(16)23(24,25)26)29-22(31)18-6-3-4-7-20(18)27-13-15-8-11-21(30)28-14-15/h3-4,6-10,12,14,27H,2,5,11,13H2,1H3,(H,29,31)
InChIKeyHZLOMBXYHBZPIC-UHFFFAOYSA-N
XLogP5.25
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-2-methylbenzamide
CID 168283392
N,N-diethyl-2-{[(2-methylphenyl)carbonyl]amino}benzamide
CID 737730
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 737731
(Z)-4-(((3-(diethylamino)propyl)amino)methylene)-2-(m-tolyl)isoquinoline-1,3(2H,4H)-dione
CID 4891463
2-[(cyclohexylcarbonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
2-(methylamino)-N-phenethylbenzamide
CID 2806589
N-benzyl-2-{[(4-fluorophenyl)acetyl]amino}benzamide
CID 16476528
Benzamide, 2-((2,3-dimethylphenyl)amino)-N-phenyl-
CID 210193
2-(((6-oxo-1,6-dihydropyridin-3-yl)methyl)amino)-N-(4-propyl-3-(trifluoromethyl)phenyl)benzamide
CID 10477723
2-{[4-(Dimethylamino)benzylidene]amino}benzamide
CID 794863
N-allyl-2-[(2-methylbenzoyl)amino]benzamide
CID 3132181
N-{2-[(cyclohexylamino)carbonyl]phenyl}-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 9549162

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide (CID 24916855) is 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide is CCCc1ccc(NC(=O)c2ccccc2NCC2=CCC(=O)N=C2)cc1C(F)(F)F.
What is the InChIKey of 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HZLOMBXYHBZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-2-5-16-9-10-17(12-19(16)23(24,25)26)29-22(31)18-6-3-4-7-20(18)27-13-15-8-11-21(30)28-14-15/h3-4,6-10,12,14,27H,2,5,11,13H2,1H3,(H,29,31).
What are the key properties of 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide?
2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 429.44 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-pyridin-5-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 24916855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).