[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate

C26H30F3N3O4 — CID 75587230

IUPAC[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
SMILESCC(O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H30F3N3O4/c1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21/h2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34)
InChIKeyFBUPZUHESVQHAC-UHFFFAOYSA-N
MW505.54 g/mol
LogP4.43
Rot. Bonds7

About [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate

[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate (PubChem CID 75587230) has the molecular formula C26H30F3N3O4 and a molecular weight of 505.54 g/mol. Its IUPAC name is [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate.

Molecular Properties

Compound Name[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
PubChem CID75587230
Molecular FormulaC26H30F3N3O4
Molecular Weight505.54 g/mol
Exact Mass505.22
IUPAC Name[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
SMILESCC(O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H30F3N3O4/c1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21/h2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34)
InChIKeyFBUPZUHESVQHAC-UHFFFAOYSA-N
XLogP4.43
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate 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-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 16726072
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-(pyridin-3-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25018527
N-((1s,4R)-4-cyano-4-(pyridin-3-yl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25019046
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-(pyridin-2-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25019564
N-(4-tert-butylphenyl)-4-(3-(hydroxymethyl)pyridin-2-yl)benzamide
CID 44417075
((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(5-fluoropyridin-2-yl)cyclohexyl)methyl carbamate
CID 53317315
((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(pyridin-2-yl)cyclohexyl)methyl carbamate
CID 53323883
6-(4-((S)-1-((S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl)ethyl)phenyl)nicotinamide
CID 58109674
2-(4-((4-Tert-butylphenyl)carbamoyl)phenyl)nicotinic acid
CID 44416759
N-[4-(3-amino-3-oxopropyl)-4-pyridin-2-ylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 53326462
4-[Hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56669308
N-(4-cyano-4-pyridin-2-ylcyclohexyl)-N-cyclopropyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 70681309

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?
The IUPAC name of [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate (CID 75587230) is [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate.
What is the SMILES notation for [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?
The canonical SMILES for [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate is CC(O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F.
What is the InChIKey of [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?
The InChIKey is FBUPZUHESVQHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O4/c1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21/h2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34).
What are the key properties of [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?
[4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate has a molecular weight of 505.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate is sourced from PubChem (CID 75587230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).