N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide

C21H23FN2O2 — CID 119064513

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(NCc1cnc2c(c1)CCC2)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H23FN2O2/c22-18-6-4-17(5-7-18)21(8-10-26-11-9-21)20(25)24-14-15-12-16-2-1-3-19(16)23-13-15/h4-7,12-13H,1-3,8-11,14H2,(H,24,25)
InChIKeyBZZAOTGDABAQFV-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.07
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 119064513) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID119064513
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(NCc1cnc2c(c1)CCC2)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H23FN2O2/c22-18-6-4-17(5-7-18)21(8-10-26-11-9-21)20(25)24-14-15-12-16-2-1-3-19(16)23-13-15/h4-7,12-13H,1-3,8-11,14H2,(H,24,25)
InChIKeyBZZAOTGDABAQFV-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 122280747
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804
2-benzyl-3-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119233889
4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
CID 91959194
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
CID 119106237
2-chloro-1-[4-(4-fluorophenyl)oxan-4-yl]ethanone
CID 20628028

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide (CID 119064513) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide is O=C(NCc1cnc2c(c1)CCC2)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is BZZAOTGDABAQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-6-4-17(5-7-18)21(8-10-26-11-9-21)20(25)24-14-15-12-16-2-1-3-19(16)23-13-15/h4-7,12-13H,1-3,8-11,14H2,(H,24,25).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 119064513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).