N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide

C14H13F2N3O3 — CID 75436667

IUPACN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(OCC(F)F)n2)ccc1=O
InChIInChI=1S/C14H13F2N3O3/c1-19-7-9(5-6-13(19)20)14(21)18-11-3-2-4-12(17-11)22-8-10(15)16/h2-7,10H,8H2,1H3,(H,17,18,21)
InChIKeyREDFHCMOIJNAER-UHFFFAOYSA-N
MW309.27 g/mol
LogP1.68
Rot. Bonds5

About N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 75436667) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID75436667
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(OCC(F)F)n2)ccc1=O
InChIInChI=1S/C14H13F2N3O3/c1-19-7-9(5-6-13(19)20)14(21)18-11-3-2-4-12(17-11)22-8-10(15)16/h2-7,10H,8H2,1H3,(H,17,18,21)
InChIKeyREDFHCMOIJNAER-UHFFFAOYSA-N
XLogP1.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 75436667) is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2cccc(OCC(F)F)n2)ccc1=O.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is REDFHCMOIJNAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c1-19-7-9(5-6-13(19)20)14(21)18-11-3-2-4-12(17-11)22-8-10(15)16/h2-7,10H,8H2,1H3,(H,17,18,21).
What are the key properties of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 309.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 75436667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).