(1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide

C11H12F2N2O — CID 129488000

IUPAC(1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC2(F)F)c(C)n1
InChIInChI=1S/C11H12F2N2O/c1-6-3-4-9(7(2)14-6)15-10(16)8-5-11(8,12)13/h3-4,8H,5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyWUNIHWVWJINUMS-MRVPVSSYSA-N
MW226.23 g/mol
LogP2.29
Rot. Bonds2

About (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide

(1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 129488000) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide
PubChem CID129488000
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name(1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC2(F)F)c(C)n1
InChIInChI=1S/C11H12F2N2O/c1-6-3-4-9(7(2)14-6)15-10(16)8-5-11(8,12)13/h3-4,8H,5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyWUNIHWVWJINUMS-MRVPVSSYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide (CID 129488000) is (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2CC2(F)F)c(C)n1.
What is the InChIKey of (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is WUNIHWVWJINUMS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-6-3-4-9(7(2)14-6)15-10(16)8-5-11(8,12)13/h3-4,8H,5H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide?
(1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,6-dimethyl-3-pyridinyl)-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 129488000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).