N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide

C16H15F2N3O2 — CID 113023110

IUPACN-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nc1)C1CCCO1
InChIInChI=1S/C16H15F2N3O2/c17-11-3-1-4-12(18)15(11)21-14-7-6-10(9-19-14)20-16(22)13-5-2-8-23-13/h1,3-4,6-7,9,13H,2,5,8H2,(H,19,21)(H,20,22)
InChIKeyRNCVKAZCYADFTH-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.22
Rot. Bonds4

About N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide

N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 113023110) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
PubChem CID113023110
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nc1)C1CCCO1
InChIInChI=1S/C16H15F2N3O2/c17-11-3-1-4-12(18)15(11)21-14-7-6-10(9-19-14)20-16(22)13-5-2-8-23-13/h1,3-4,6-7,9,13H,2,5,8H2,(H,19,21)(H,20,22)
InChIKeyRNCVKAZCYADFTH-UHFFFAOYSA-N
XLogP3.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113021203
N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113022851
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]oxolane-2-carboxamide
CID 113028252
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide (CID 113023110) is N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide is O=C(Nc1ccc(Nc2c(F)cccc2F)nc1)C1CCCO1.
What is the InChIKey of N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is RNCVKAZCYADFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-11-3-1-4-12(18)15(11)21-14-7-6-10(9-19-14)20-16(22)13-5-2-8-23-13/h1,3-4,6-7,9,13H,2,5,8H2,(H,19,21)(H,20,22).
What are the key properties of N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide?
N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113023110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).