N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C25H29F3N4O3 — CID 57395218

IUPACN-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C25H29F3N4O3/c26-25(27,28)18-4-1-3-17(13-18)23(34)30-15-22(33)31-20-8-12-32(16-20)21-6-9-24(35,10-7-21)19-5-2-11-29-14-19/h1-5,11,13-14,20-21,35H,6-10,12,15-16H2,(H,30,34)(H,31,33)/t20-,21?,24?/m1/s1
InChIKeyKUWNDUYYSZHFCP-UZGSZPBKSA-N
MW490.53 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 57395218) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID57395218
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC NameN-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C25H29F3N4O3/c26-25(27,28)18-4-1-3-17(13-18)23(34)30-15-22(33)31-20-8-12-32(16-20)21-6-9-24(35,10-7-21)19-5-2-11-29-14-19/h1-5,11,13-14,20-21,35H,6-10,12,15-16H2,(H,30,34)(H,31,33)/t20-,21?,24?/m1/s1
InChIKeyKUWNDUYYSZHFCP-UZGSZPBKSA-N
XLogP2.85
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 57395218) is N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCC(O)(c3cccnc3)CC2)C1.
What is the InChIKey of N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KUWNDUYYSZHFCP-UZGSZPBKSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c26-25(27,28)18-4-1-3-17(13-18)23(34)30-15-22(33)31-20-8-12-32(16-20)21-6-9-24(35,10-7-21)19-5-2-11-29-14-19/h1-5,11,13-14,20-21,35H,6-10,12,15-16H2,(H,30,34)(H,31,33)/t20-,21?,24?/m1/s1.
What are the key properties of N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 490.53 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 57395218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).