N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide

C13H16F2N2O3 — CID 75436669

IUPACN-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1cccc(OCC(F)F)n1)C1CCOCC1
InChIInChI=1S/C13H16F2N2O3/c14-10(15)8-20-12-3-1-2-11(16-12)17-13(18)9-4-6-19-7-5-9/h1-3,9-10H,4-8H2,(H,16,17,18)
InChIKeyACNWKXDELVMILE-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.09
Rot. Bonds5

About N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 75436669) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide
PubChem CID75436669
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1cccc(OCC(F)F)n1)C1CCOCC1
InChIInChI=1S/C13H16F2N2O3/c14-10(15)8-20-12-3-1-2-11(16-12)17-13(18)9-4-6-19-7-5-9/h1-3,9-10H,4-8H2,(H,16,17,18)
InChIKeyACNWKXDELVMILE-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122090044
N-(6-fluoro-2-pyridinyl)oxolane-3-carboxamide
CID 104820866
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide
CID 119043080
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
CID 75508141
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide
CID 119043093
6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide
CID 126779362
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea
CID 154771848
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(6-methoxy-2-pyridinyl)azetidine-3-carboxamide;hydrochloride
CID 142435091
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide (CID 75436669) is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide is O=C(Nc1cccc(OCC(F)F)n1)C1CCOCC1.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is ACNWKXDELVMILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-10(15)8-20-12-3-1-2-11(16-12)17-13(18)9-4-6-19-7-5-9/h1-3,9-10H,4-8H2,(H,16,17,18).
What are the key properties of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide?
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 75436669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).