N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C24H24F2N4O2 — CID 11385090

IUPACN-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(Cc2ccccc2)cn1
InChIInChI=1S/C24H24F2N4O2/c1-2-6-21(29-22(31)12-17-10-19(25)13-20(26)11-17)23(32)30-24-27-14-18(15-28-24)9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15,21H,2,6,9,12H2,1H3,(H,29,31)(H,27,28,30,32)
InChIKeyRRDLPNGLDIZFNR-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.81
Rot. Bonds9

About N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 11385090) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID11385090
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(Cc2ccccc2)cn1
InChIInChI=1S/C24H24F2N4O2/c1-2-6-21(29-22(31)12-17-10-19(25)13-20(26)11-17)23(32)30-24-27-14-18(15-28-24)9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15,21H,2,6,9,12H2,1H3,(H,29,31)(H,27,28,30,32)
InChIKeyRRDLPNGLDIZFNR-UHFFFAOYSA-N
XLogP3.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide
CID 91166034
N-[5-(3-tert-butylphenoxy)pyrimidin-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11397848
N-[5-[1-(benzylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91176467
N-[5-[3-(benzylamino)butyl]-2-pyridinyl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide;2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoic acid
CID 158293172
3-[6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-3-pyridinyl]prop-2-enoic acid
CID 142997608
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
CID 10251870
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide
CID 86598098
(2S)-N-[1-[2-[benzyl(methyl)amino]ethyl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91613314
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
CID 86598115
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
CID 87904395
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pentanamide
CID 91001589
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-oxoprop-1-enyl)-2-pyridinyl]pentanamide
CID 90764008

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 11385090) is N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(Cc2ccccc2)cn1.
What is the InChIKey of N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is RRDLPNGLDIZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-2-6-21(29-22(31)12-17-10-19(25)13-20(26)11-17)23(32)30-24-27-14-18(15-28-24)9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15,21H,2,6,9,12H2,1H3,(H,29,31)(H,27,28,30,32).
What are the key properties of N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 438.48 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11385090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).