N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide

C25H26FN3O2 — CID 126627278

IUPACN-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(-c2cccnc2)cc1)C(=O)NC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2/c1-17(23(30)29-25(2,3)15-18-6-12-22(26)13-7-18)28-24(31)20-10-8-19(9-11-20)21-5-4-14-27-16-21/h4-14,16-17H,15H2,1-3H3,(H,28,31)(H,29,30)/t17-/m0/s1
InChIKeyWGQWSMIAZPKEMF-KRWDZBQOSA-N
MW419.50 g/mol
LogP4.14
Rot. Bonds7

About N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide

N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide (PubChem CID 126627278) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide
PubChem CID126627278
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(-c2cccnc2)cc1)C(=O)NC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2/c1-17(23(30)29-25(2,3)15-18-6-12-22(26)13-7-18)28-24(31)20-10-8-19(9-11-20)21-5-4-14-27-16-21/h4-14,16-17H,15H2,1-3H3,(H,28,31)(H,29,30)/t17-/m0/s1
InChIKeyWGQWSMIAZPKEMF-KRWDZBQOSA-N
XLogP4.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(2-methyl-1-pyridin-3-ylpropan-2-yl)amino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 123510366
2-benzyl-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 123592350
(4S)-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxo-4-[(6-phenylpyridine-3-carbonyl)amino]pentanoic acid
CID 67334874
N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-4-methyl-1,5-dioxopentan-2-yl]-4-(1-methylpyrazol-3-yl)benzamide
CID 126627211
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
CID 11291032
[4-[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-oxobutyl]phenyl] 4-pyridin-3-ylbenzoate
CID 58546053
1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol
CID 46854274
4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
CID 18168796
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
4-[(1S)-1-[[5-(4-fluorophenyl)-1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772858
4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 46469562

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide?
The IUPAC name of N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide (CID 126627278) is N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide is C[C@H](NC(=O)c1ccc(-c2cccnc2)cc1)C(=O)NC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide?
The InChIKey is WGQWSMIAZPKEMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-17(23(30)29-25(2,3)15-18-6-12-22(26)13-7-18)28-24(31)20-10-8-19(9-11-20)21-5-4-14-27-16-21/h4-14,16-17H,15H2,1-3H3,(H,28,31)(H,29,30)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide?
N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 126627278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).