N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide

C24H26F3N3O3 — CID 134261177

IUPACN-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(N(CC)C(=O)C2CC2)n1
InChIInChI=1S/C24H26F3N3O3/c1-3-29(22(31)16-5-6-16)20-13-18(15-9-11-19(12-10-15)33-24(25,26)27)14-21(28-20)30(4-2)23(32)17-7-8-17/h9-14,16-17H,3-8H2,1-2H3
InChIKeyFUGIDBMIUGYCKB-UHFFFAOYSA-N
MW461.48 g/mol
LogP5.17
Rot. Bonds8

About N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide

N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide (PubChem CID 134261177) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide
PubChem CID134261177
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC NameN-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(N(CC)C(=O)C2CC2)n1
InChIInChI=1S/C24H26F3N3O3/c1-3-29(22(31)16-5-6-16)20-13-18(15-9-11-19(12-10-15)33-24(25,26)27)14-21(28-20)30(4-2)23(32)17-7-8-17/h9-14,16-17H,3-8H2,1-2H3
InChIKeyFUGIDBMIUGYCKB-UHFFFAOYSA-N
XLogP5.17
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123473878
N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
CID 3590115
[6-(cyclopropanecarbonylamino)-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
CID 130429797
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
N-[2,3-dimethyl-5-(4-phenoxyphenyl)phenyl]-N-ethylcyclopentanecarboxamide
CID 170243588
1-N,1-N-diethyl-4-N-methyl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55682821
1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 159374732
ethyl 3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134633183
ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxylate
CID 139453528
[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea
CID 57270178

Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide (CID 134261177) is N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide is CCN(C(=O)C1CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(N(CC)C(=O)C2CC2)n1.
What is the InChIKey of N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is FUGIDBMIUGYCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-3-29(22(31)16-5-6-16)20-13-18(15-9-11-19(12-10-15)33-24(25,26)27)14-21(28-20)30(4-2)23(32)17-7-8-17/h9-14,16-17H,3-8H2,1-2H3.
What are the key properties of N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide?
N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 461.48 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 134261177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).