2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C23H21F3N4O2 — CID 42747627

IUPAC2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H21F3N4O2/c1-30(2)20-9-8-18(12-19(20)22(32)28-14-15-5-4-10-27-13-15)29-21(31)16-6-3-7-17(11-16)23(24,25)26/h3-13H,14H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyYKITWHLIPXEVJD-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.35
Rot. Bonds6

About 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 42747627) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID42747627
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H21F3N4O2/c1-30(2)20-9-8-18(12-19(20)22(32)28-14-15-5-4-10-27-13-15)29-21(31)16-6-3-7-17(11-16)23(24,25)26/h3-13H,14H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyYKITWHLIPXEVJD-UHFFFAOYSA-N
XLogP4.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42747938
5-[(3-chlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 42747935
2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3905630
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 3900992
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 42747627) is 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is CN(C)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is YKITWHLIPXEVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-30(2)20-9-8-18(12-19(20)22(32)28-14-15-5-4-10-27-13-15)29-21(31)16-6-3-7-17(11-16)23(24,25)26/h3-13H,14H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 442.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 42747627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).