3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

C19H21FN2O4 — CID 15981317

IUPAC3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESCC(C)CCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H21FN2O4/c1-13(2)9-10-25-18(23)12-26-17-8-3-14(11-21-17)19(24)22-16-6-4-15(20)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyVZNLCSKTOPAQML-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.44
Rot. Bonds8

About 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (PubChem CID 15981317) has the molecular formula C19H21FN2O4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Name3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
PubChem CID15981317
Molecular FormulaC19H21FN2O4
Molecular Weight360.38 g/mol
Exact Mass360.15
IUPAC Name3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESCC(C)CCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H21FN2O4/c1-13(2)9-10-25-18(23)12-26-17-8-3-14(11-21-17)19(24)22-16-6-4-15(20)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyVZNLCSKTOPAQML-UHFFFAOYSA-N
XLogP3.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15980829
[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid
CID 59446426
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate
CID 15980958
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
6-(3-methylbutoxy)pyridine-3-carboxylic acid
CID 22219927
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (CID 15981317) is 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is CC(C)CCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The InChIKey is VZNLCSKTOPAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(2)9-10-25-18(23)12-26-17-8-3-14(11-21-17)19(24)22-16-6-4-15(20)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate has a molecular weight of 360.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15981317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).