(2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide

C23H28F2N4O3 — CID 70020667

IUPAC(2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide
SMILESCCCC[C@H](NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccncc1
InChIInChI=1S/C23H28F2N4O3/c1-4-5-6-20(23(32)29(3)19-7-9-26-10-8-19)28-22(31)15(2)27-21(30)13-16-11-17(24)14-18(25)12-16/h7-12,14-15,20H,4-6,13H2,1-3H3,(H,27,30)(H,28,31)/t15-,20-/m0/s1
InChIKeyVCYSODXLIKXVAE-YWZLYKJASA-N
MW446.50 g/mol
LogP2.74
Rot. Bonds10

About (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide

(2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide (PubChem CID 70020667) has the molecular formula C23H28F2N4O3 and a molecular weight of 446.50 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide
PubChem CID70020667
Molecular FormulaC23H28F2N4O3
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC Name(2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide
SMILESCCCC[C@H](NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccncc1
InChIInChI=1S/C23H28F2N4O3/c1-4-5-6-20(23(32)29(3)19-7-9-26-10-8-19)28-22(31)15(2)27-21(30)13-16-11-17(24)14-18(25)12-16/h7-12,14-15,20H,4-6,13H2,1-3H3,(H,27,30)(H,28,31)/t15-,20-/m0/s1
InChIKeyVCYSODXLIKXVAE-YWZLYKJASA-N
XLogP2.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide 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 (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide (CID 70020667) is (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide is CCCC[C@H](NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccncc1.
What is the InChIKey of (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide?
The InChIKey is VCYSODXLIKXVAE-YWZLYKJASA-N. The full InChI is InChI=1S/C23H28F2N4O3/c1-4-5-6-20(23(32)29(3)19-7-9-26-10-8-19)28-22(31)15(2)27-21(30)13-16-11-17(24)14-18(25)12-16/h7-12,14-15,20H,4-6,13H2,1-3H3,(H,27,30)(H,28,31)/t15-,20-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide?
(2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide has a molecular weight of 446.50 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-N-methyl-N-pyridin-4-ylhexanamide is sourced from PubChem (CID 70020667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).