N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide

C22H28FN3O2 — CID 24988947

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide
SMILESCCN(CC)c1ccc(CN(C(=O)C2CCOCC2)c2ccc(F)cc2)cn1
InChIInChI=1S/C22H28FN3O2/c1-3-25(4-2)21-10-5-17(15-24-21)16-26(20-8-6-19(23)7-9-20)22(27)18-11-13-28-14-12-18/h5-10,15,18H,3-4,11-14,16H2,1-2H3
InChIKeyIBHSCIUMFRIWOE-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.03
Rot. Bonds7

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 24988947) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID24988947
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide
SMILESCCN(CC)c1ccc(CN(C(=O)C2CCOCC2)c2ccc(F)cc2)cn1
InChIInChI=1S/C22H28FN3O2/c1-3-25(4-2)21-10-5-17(15-24-21)16-26(20-8-6-19(23)7-9-20)22(27)18-11-13-28-14-12-18/h5-10,15,18H,3-4,11-14,16H2,1-2H3
InChIKeyIBHSCIUMFRIWOE-UHFFFAOYSA-N
XLogP4.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide (CID 24988947) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide is CCN(CC)c1ccc(CN(C(=O)C2CCOCC2)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is IBHSCIUMFRIWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-3-25(4-2)21-10-5-17(15-24-21)16-26(20-8-6-19(23)7-9-20)22(27)18-11-13-28-14-12-18/h5-10,15,18H,3-4,11-14,16H2,1-2H3.
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 24988947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).