N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide

C24H27F3N4O3 — CID 3204903

IUPACN'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1)Nc1ccccn1
InChIInChI=1S/C24H27F3N4O3/c25-24(26,27)17-7-6-10-19(15-17)31(16-22(33)29-18-8-2-1-3-9-18)23(34)13-12-21(32)30-20-11-4-5-14-28-20/h4-7,10-11,14-15,18H,1-3,8-9,12-13,16H2,(H,29,33)(H,28,30,32)
InChIKeyYIWAZHKTPITKAN-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.30
Rot. Bonds8

About N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide

N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide (PubChem CID 3204903) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide
PubChem CID3204903
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1)Nc1ccccn1
InChIInChI=1S/C24H27F3N4O3/c25-24(26,27)17-7-6-10-19(15-17)31(16-22(33)29-18-8-2-1-3-9-18)23(34)13-12-21(32)30-20-11-4-5-14-28-20/h4-7,10-11,14-15,18H,1-3,8-9,12-13,16H2,(H,29,33)(H,28,30,32)
InChIKeyYIWAZHKTPITKAN-UHFFFAOYSA-N
XLogP4.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide 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

N'-(3-chloro-4-fluorophenyl)-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 155902534
N'-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 98101912
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197396
N'-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 98102042
N-cyclohexyl-2-[N-[2-[(R)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]acetyl]-3-(trifluoromethyl)anilino]acetamide
CID 98097390
N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
CID 647847
N'-(3-chloro-4-fluorophenyl)-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208472
2-[N-[2-[(R)-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl]-3-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 98092071
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1454984
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 650001
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide (CID 3204903) is N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide is O=C(CCC(=O)N(CC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1)Nc1ccccn1.
What is the InChIKey of N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The InChIKey is YIWAZHKTPITKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c25-24(26,27)17-7-6-10-19(15-17)31(16-22(33)29-18-8-2-1-3-9-18)23(34)13-12-21(32)30-20-11-4-5-14-28-20/h4-7,10-11,14-15,18H,1-3,8-9,12-13,16H2,(H,29,33)(H,28,30,32).
What are the key properties of N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide?
N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide has a molecular weight of 476.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide is sourced from PubChem (CID 3204903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).