3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C27H23F3N4O — CID 142090076

IUPAC3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCCc3ccccn3)nc2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H23F3N4O/c1-18-5-4-7-23(25(18)19-8-10-20(11-9-19)27(28,29)30)26(35)34-22-12-13-24(33-17-22)32-16-14-21-6-2-3-15-31-21/h2-13,15,17H,14,16H2,1H3,(H,32,33)(H,34,35)
InChIKeySYGBIERLYUJOQB-UHFFFAOYSA-N
MW476.50 g/mol
LogP6.38
Rot. Bonds7

About 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide

3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 142090076) has the molecular formula C27H23F3N4O and a molecular weight of 476.50 g/mol. Its IUPAC name is 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID142090076
Molecular FormulaC27H23F3N4O
Molecular Weight476.50 g/mol
Exact Mass476.18
IUPAC Name3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCCc3ccccn3)nc2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H23F3N4O/c1-18-5-4-7-23(25(18)19-8-10-20(11-9-19)27(28,29)30)26(35)34-22-12-13-24(33-17-22)32-16-14-21-6-2-3-15-31-21/h2-13,15,17H,14,16H2,1H3,(H,32,33)(H,34,35)
InChIKeySYGBIERLYUJOQB-UHFFFAOYSA-N
XLogP6.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[6-[3-(propan-2-ylsulfonylamino)propylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10186942
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CID 10288837
2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
CID 10158321
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
tert-butyl N-[2-[4-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenoxy]ethyl]carbamate
CID 142090064
N-[6-[3-(dimethylcarbamoylamino)propylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10184624
4-[2-[[4-(2-pyridin-2-ylethylamino)phenyl]carbamoyl]phenyl]benzoic acid
CID 142663018
N-[(2S)-2-amino-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-dihydroinden-2-yl]-1,2-oxazole-5-carboxamide
CID 59943774
N-[2-(2,2-dimethylpropanoylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943718
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
CID 82022480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 142090076) is 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(NCCc3ccccn3)nc2)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SYGBIERLYUJOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O/c1-18-5-4-7-23(25(18)19-8-10-20(11-9-19)27(28,29)30)26(35)34-22-12-13-24(33-17-22)32-16-14-21-6-2-3-15-31-21/h2-13,15,17H,14,16H2,1H3,(H,32,33)(H,34,35).
What are the key properties of 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 476.50 g/mol, XLogP of 6.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 142090076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).