4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide

C18H19FN2O2 — CID 27456641

IUPAC4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1
InChIInChI=1S/C18H19FN2O2/c1-13-6-9-20-16(12-13)21-17(22)18(7-10-23-11-8-18)14-2-4-15(19)5-3-14/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,21,22)
InChIKeyBEIJUHQQVLMUHN-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.22
Rot. Bonds3

About 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide

4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide (PubChem CID 27456641) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
PubChem CID27456641
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1
InChIInChI=1S/C18H19FN2O2/c1-13-6-9-20-16(12-13)21-17(22)18(7-10-23-11-8-18)14-2-4-15(19)5-3-14/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,21,22)
InChIKeyBEIJUHQQVLMUHN-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
4-(4-fluorophenyl)-N-(1,2-thiazol-3-yl)oxane-4-carboxamide
CID 136558315
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582638
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 56523257
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718
N-(4-butoxy-3,5-dimethylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683972
4-methyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 63121370
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide (CID 27456641) is 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide is Cc1ccnc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide?
The InChIKey is BEIJUHQQVLMUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-6-9-20-16(12-13)21-17(22)18(7-10-23-11-8-18)14-2-4-15(19)5-3-14/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,21,22).
What are the key properties of 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide?
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 27456641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).