3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide

C11H11F2N3O3 — CID 126648856

IUPAC3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
SMILESCN(C(=O)c1cc(C(N)=O)c[nH]c1=O)C1CC1(F)F
InChIInChI=1S/C11H11F2N3O3/c1-16(7-3-11(7,12)13)10(19)6-2-5(8(14)17)4-15-9(6)18/h2,4,7H,3H2,1H3,(H2,14,17)(H,15,18)
InChIKeyPHFJRSFCHBBOHN-UHFFFAOYSA-N
MW271.22 g/mol
LogP-0.05
Rot. Bonds3

About 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide

3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide (PubChem CID 126648856) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
PubChem CID126648856
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
SMILESCN(C(=O)c1cc(C(N)=O)c[nH]c1=O)C1CC1(F)F
InChIInChI=1S/C11H11F2N3O3/c1-16(7-3-11(7,12)13)10(19)6-2-5(8(14)17)4-15-9(6)18/h2,4,7H,3H2,1H3,(H2,14,17)(H,15,18)
InChIKeyPHFJRSFCHBBOHN-UHFFFAOYSA-N
XLogP-0.05
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide (CID 126648856) is 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide is CN(C(=O)c1cc(C(N)=O)c[nH]c1=O)C1CC1(F)F.
What is the InChIKey of 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
The InChIKey is PHFJRSFCHBBOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c1-16(7-3-11(7,12)13)10(19)6-2-5(8(14)17)4-15-9(6)18/h2,4,7H,3H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide?
3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide has a molecular weight of 271.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 126648856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).