5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide

C25H26F2N2O3 — CID 161006450

IUPAC5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(F)c(F)c1)CC12CC(NC(=O)c3ccc(CCC4CC4)cn3)(C1)C2
InChIInChI=1S/C25H26F2N2O3/c26-20-7-6-19(9-21(20)27)32-12-18(30)10-24-13-25(14-24,15-24)29-23(31)22-8-5-17(11-28-22)4-3-16-1-2-16/h5-9,11,16H,1-4,10,12-15H2,(H,29,31)
InChIKeyTWOIJUFMTQVHKK-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.39
Rot. Bonds10

About 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide

5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide (PubChem CID 161006450) has the molecular formula C25H26F2N2O3 and a molecular weight of 440.49 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
PubChem CID161006450
Molecular FormulaC25H26F2N2O3
Molecular Weight440.49 g/mol
Exact Mass440.19
IUPAC Name5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(F)c(F)c1)CC12CC(NC(=O)c3ccc(CCC4CC4)cn3)(C1)C2
InChIInChI=1S/C25H26F2N2O3/c26-20-7-6-19(9-21(20)27)32-12-18(30)10-24-13-25(14-24,15-24)29-23(31)22-8-5-17(11-28-22)4-3-16-1-2-16/h5-9,11,16H,1-4,10,12-15H2,(H,29,31)
InChIKeyTWOIJUFMTQVHKK-UHFFFAOYSA-N
XLogP4.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropylethyl)-N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 162017742
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propyl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;5-(2-cyclopropylethyl)-N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 162017741
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide
CID 159355547
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide
CID 159961387
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 158708318
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide
CID 160858978
2-(1-acetylpiperidin-4-yl)-N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide
CID 158251761
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide
CID 161343802
1-(3,4-difluorophenoxy)-3-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 158623891
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 158128750
(2S)-5-chloro-N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-hydroxy-2-methyl-3H-1-benzofuran-2-carboxamide
CID 163549155
5-[3-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxopropyl]pyridine-2-carbonitrile
CID 147841859

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide (CID 161006450) is 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide is O=C(COc1ccc(F)c(F)c1)CC12CC(NC(=O)c3ccc(CCC4CC4)cn3)(C1)C2.
What is the InChIKey of 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?
The InChIKey is TWOIJUFMTQVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O3/c26-20-7-6-19(9-21(20)27)32-12-18(30)10-24-13-25(14-24,15-24)29-23(31)22-8-5-17(11-28-22)4-3-16-1-2-16/h5-9,11,16H,1-4,10,12-15H2,(H,29,31).
What are the key properties of 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?
5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-N-[3-[3-(3,4-difluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide is sourced from PubChem (CID 161006450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).