4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide

C19H21FN2O3 — CID 99620718

IUPAC4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C)n1
InChIInChI=1S/C19H21FN2O3/c1-13-16(7-8-17(21-13)24-2)22-18(23)19(9-11-25-12-10-19)14-3-5-15(20)6-4-14/h3-8H,9-12H2,1-2H3,(H,22,23)
InChIKeyDGGFFDCZKGPDAD-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.22
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide

4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide (PubChem CID 99620718) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
PubChem CID99620718
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C)n1
InChIInChI=1S/C19H21FN2O3/c1-13-16(7-8-17(21-13)24-2)22-18(23)19(9-11-25-12-10-19)14-3-5-15(20)6-4-14/h3-8H,9-12H2,1-2H3,(H,22,23)
InChIKeyDGGFFDCZKGPDAD-UHFFFAOYSA-N
XLogP3.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100772730
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100770896
4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772769
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770758
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466
4-(4-fluorophenyl)-N-(1,2-thiazol-3-yl)oxane-4-carboxamide
CID 136558315
4-(4-fluorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-4-carboxamide
CID 120881030
1-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 100775654

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide (CID 99620718) is 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide is COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is DGGFFDCZKGPDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13-16(7-8-17(21-13)24-2)22-18(23)19(9-11-25-12-10-19)14-3-5-15(20)6-4-14/h3-8H,9-12H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide?
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 99620718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).