4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide

C17H16F2N2O3 — CID 86786273

IUPAC4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1ccncc1O)C1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H16F2N2O3/c18-11-1-2-12(13(19)9-11)17(4-7-24-8-5-17)16(23)21-14-3-6-20-10-15(14)22/h1-3,6,9-10,22H,4-5,7-8H2,(H,20,21,23)
InChIKeyAZINVGPZDTVYTF-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.75
Rot. Bonds3

About 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide

4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide (PubChem CID 86786273) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide
PubChem CID86786273
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1ccncc1O)C1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H16F2N2O3/c18-11-1-2-12(13(19)9-11)17(4-7-24-8-5-17)16(23)21-14-3-6-20-10-15(14)22/h1-3,6,9-10,22H,4-5,7-8H2,(H,20,21,23)
InChIKeyAZINVGPZDTVYTF-UHFFFAOYSA-N
XLogP2.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
2-[4-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109753
1-[[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544305
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
CID 107594990
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
cis-(1R,3S)-3-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678235
4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide
CID 146085454
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide
CID 75447606
4-(2-chloro-4-fluorophenyl)oxane-4-carboxylic acid
CID 63033334
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)cyclopropane-1-carboxamide
CID 110464016
1-(4-chlorophenyl)-N-(3-fluoro-4-pyridinyl)cyclopropane-1-carboxamide
CID 167778730

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide (CID 86786273) is 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide is O=C(Nc1ccncc1O)C1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide?
The InChIKey is AZINVGPZDTVYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-11-1-2-12(13(19)9-11)17(4-7-24-8-5-17)16(23)21-14-3-6-20-10-15(14)22/h1-3,6,9-10,22H,4-5,7-8H2,(H,20,21,23).
What are the key properties of 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide?
4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 86786273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).