N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C26H30F3N3O2 — CID 10096399

IUPACN-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(CC1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C26H30F3N3O2/c1-17(22(14-18-7-4-5-8-18)20-10-6-9-19(13-20)15-30)32-24(33)25(2,3)34-23-12-11-21(16-31-23)26(27,28)29/h6,9-13,16-18,22H,4-5,7-8,14H2,1-3H3,(H,32,33)
InChIKeyTZYRPDAFSAFZSQ-UHFFFAOYSA-N
MW473.54 g/mol
LogP6.00
Rot. Bonds8

About N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 10096399) has the molecular formula C26H30F3N3O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID10096399
Molecular FormulaC26H30F3N3O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC NameN-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(CC1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C26H30F3N3O2/c1-17(22(14-18-7-4-5-8-18)20-10-6-9-19(13-20)15-30)32-24(33)25(2,3)34-23-12-11-21(16-31-23)26(27,28)29/h6,9-13,16-18,22H,4-5,7-8,14H2,1-3H3,(H,32,33)
InChIKeyTZYRPDAFSAFZSQ-UHFFFAOYSA-N
XLogP6.00
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 67483947
N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 10391647
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]-2-methylpropanamide
CID 142807556
N-[(2S,3S)-3-(3-cyano-5-fluorophenyl)-4-(4-hydroxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 16748195
N-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-fluorobutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 11756895
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(fluoromethoxy)phenyl]butan-2-yl]-2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 11353054
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanamide
CID 11271862
N-[3-(3-cyano-5-fluorophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 11478538
6-[1-[[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-sulfinate
CID 23404806
N-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-hydroxybutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59682349
3-[(3S)-1-(4-chlorophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]butan-2-yl]benzamide
CID 163924092
N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25120435

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 10096399) is N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(CC1CCCC1)c1cccc(C#N)c1.
What is the InChIKey of N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is TZYRPDAFSAFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O2/c1-17(22(14-18-7-4-5-8-18)20-10-6-9-19(13-20)15-30)32-24(33)25(2,3)34-23-12-11-21(16-31-23)26(27,28)29/h6,9-13,16-18,22H,4-5,7-8,14H2,1-3H3,(H,32,33).
What are the key properties of N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 473.54 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 10096399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).