2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide

C22H24F3N3O2 — CID 87748702

IUPAC2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide
SMILESCc1ccc(C(N)=O)c(CCC2CCCC2)c1-c1ccc(NC(=O)C(F)(F)F)nc1
InChIInChI=1S/C22H24F3N3O2/c1-13-6-9-17(20(26)29)16(10-7-14-4-2-3-5-14)19(13)15-8-11-18(27-12-15)28-21(30)22(23,24)25/h6,8-9,11-12,14H,2-5,7,10H2,1H3,(H2,26,29)(H,27,28,30)
InChIKeyOUKNRBBNEOLVPF-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.78
Rot. Bonds6

About 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide

2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide (PubChem CID 87748702) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide
PubChem CID87748702
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide
SMILESCc1ccc(C(N)=O)c(CCC2CCCC2)c1-c1ccc(NC(=O)C(F)(F)F)nc1
InChIInChI=1S/C22H24F3N3O2/c1-13-6-9-17(20(26)29)16(10-7-14-4-2-3-5-14)19(13)15-8-11-18(27-12-15)28-21(30)22(23,24)25/h6,8-9,11-12,14H,2-5,7,10H2,1H3,(H2,26,29)(H,27,28,30)
InChIKeyOUKNRBBNEOLVPF-UHFFFAOYSA-N
XLogP4.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide
CID 69208381
2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide
CID 69208380
2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
CID 69162594
2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 175043157
N-(5-amino-4-methyl-2-pyridinyl)-3-cyclohexylpropanamide
CID 61293878
N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide
CID 170943583
4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
CID 70687942
3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid
CID 123207173
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
CID 81276546

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide (CID 87748702) is 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide is Cc1ccc(C(N)=O)c(CCC2CCCC2)c1-c1ccc(NC(=O)C(F)(F)F)nc1.
What is the InChIKey of 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide?
The InChIKey is OUKNRBBNEOLVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-13-6-9-17(20(26)29)16(10-7-14-4-2-3-5-14)19(13)15-8-11-18(27-12-15)28-21(30)22(23,24)25/h6,8-9,11-12,14H,2-5,7,10H2,1H3,(H2,26,29)(H,27,28,30).
What are the key properties of 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide?
2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide has a molecular weight of 419.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 87748702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).