N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide

C27H27F3N4O — CID 10288837

IUPACN-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
SMILESCc1cccc(CCNc2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cn2)n1
InChIInChI=1S/C27H27F3N4O/c1-18-5-4-6-21(33-18)15-16-31-25-14-13-22(17-32-25)34-26(35)24-8-3-2-7-23(24)19-9-11-20(12-10-19)27(28,29)30/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,31,32)(H,34,35)
InChIKeyNRGHGLSQVCGUBJ-UHFFFAOYSA-N
MW480.53 g/mol
LogP6.42
Rot. Bonds7

About N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide

N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide (PubChem CID 10288837) has the molecular formula C27H27F3N4O and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
PubChem CID10288837
Molecular FormulaC27H27F3N4O
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC NameN-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
SMILESCc1cccc(CCNc2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cn2)n1
InChIInChI=1S/C27H27F3N4O/c1-18-5-4-6-21(33-18)15-16-31-25-14-13-22(17-32-25)34-26(35)24-8-3-2-7-23(24)19-9-11-20(12-10-19)27(28,29)30/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,31,32)(H,34,35)
InChIKeyNRGHGLSQVCGUBJ-UHFFFAOYSA-N
XLogP6.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide 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

3-methyl-N-[6-(2-pyridin-2-ylethylamino)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 142090076
tert-butyl N-[6-[2-oxo-2-[4-[5-[[2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]ethyl]-2-pyridinyl]carbamate
CID 91192579
N-[6-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CID 10289625
3-methyl-N-[6-[3-(propan-2-ylsulfonylamino)propylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10186942
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-[2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 54017716
N-[6-[3-(dimethylcarbamoylamino)propylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10184624
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
N-[2-[3-[4-(2-ethoxy-6-methylsulfanylphenyl)butanoylamino]propyl]-1,3-dihydroisoindol-5-yl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CID 139949130
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
CID 113010234

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide?
The IUPAC name of N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide (CID 10288837) is N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide is Cc1cccc(CCNc2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cn2)n1.
What is the InChIKey of N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide?
The InChIKey is NRGHGLSQVCGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O/c1-18-5-4-6-21(33-18)15-16-31-25-14-13-22(17-32-25)34-26(35)24-8-3-2-7-23(24)19-9-11-20(12-10-19)27(28,29)30/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,31,32)(H,34,35).
What are the key properties of N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide?
N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 10288837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).