2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide

C25H27FN4O3 — CID 55679433

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H27FN4O3/c1-2-6-23(30-25(32)28-16-18-10-12-19(26)13-11-18)24(31)29-20-8-5-9-22(15-20)33-17-21-7-3-4-14-27-21/h3-5,7-15,23H,2,6,16-17H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyWECRJMYEPHBALZ-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.41
Rot. Bonds10

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide (PubChem CID 55679433) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
PubChem CID55679433
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H27FN4O3/c1-2-6-23(30-25(32)28-16-18-10-12-19(26)13-11-18)24(31)29-20-8-5-9-22(15-20)33-17-21-7-3-4-14-27-21/h3-5,7-15,23H,2,6,16-17H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyWECRJMYEPHBALZ-UHFFFAOYSA-N
XLogP4.41
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
methyl 2-chloro-5-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate
CID 55556722
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
CID 71943301
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
CID 24634494
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55541822
benzyl N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethoxy)anilino]propan-2-yl]carbamate
CID 55653455
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 41181659
N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide
CID 46401280

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide (CID 55679433) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide?
The InChIKey is WECRJMYEPHBALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-2-6-23(30-25(32)28-16-18-10-12-19(26)13-11-18)24(31)29-20-8-5-9-22(15-20)33-17-21-7-3-4-14-27-21/h3-5,7-15,23H,2,6,16-17H2,1H3,(H,29,31)(H2,28,30,32).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide has a molecular weight of 450.51 g/mol, XLogP of 4.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide is sourced from PubChem (CID 55679433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).