4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide

C24H29F3N4O2 — CID 166025288

IUPAC4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C24H29F3N4O2/c1-31(2)18(13-16-6-8-17(9-7-16)22(28)33)15-30-21(32)14-19(20-5-3-4-12-29-20)23(10-11-23)24(25,26)27/h3-9,12,18-19H,10-11,13-15H2,1-2H3,(H2,28,33)(H,30,32)/t18-,19+/m0/s1
InChIKeyVOYDBASISMZXAK-RBUKOAKNSA-N
MW462.52 g/mol
LogP3.29
Rot. Bonds10

About 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide

4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide (PubChem CID 166025288) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
PubChem CID166025288
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C24H29F3N4O2/c1-31(2)18(13-16-6-8-17(9-7-16)22(28)33)15-30-21(32)14-19(20-5-3-4-12-29-20)23(10-11-23)24(25,26)27/h3-9,12,18-19H,10-11,13-15H2,1-2H3,(H2,28,33)(H,30,32)/t18-,19+/m0/s1
InChIKeyVOYDBASISMZXAK-RBUKOAKNSA-N
XLogP3.29
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]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 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The IUPAC name of 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide (CID 166025288) is 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide.
What is the SMILES notation for 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The canonical SMILES for 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide is CN(C)[C@H](CNC(=O)C[C@H](c1ccccn1)C1(C(F)(F)F)CC1)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
The InChIKey is VOYDBASISMZXAK-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-31(2)18(13-16-6-8-17(9-7-16)22(28)33)15-30-21(32)14-19(20-5-3-4-12-29-20)23(10-11-23)24(25,26)27/h3-9,12,18-19H,10-11,13-15H2,1-2H3,(H2,28,33)(H,30,32)/t18-,19+/m0/s1.
What are the key properties of 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide?
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide has a molecular weight of 462.52 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]benzamide is sourced from PubChem (CID 166025288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).