3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide

C11H14F2N2O2 — CID 50956881

IUPAC3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCOC(C)(C)CNC(=O)c1ncc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,17-3)6-15-10(16)9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyWTCOCBVJNVMILL-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.51
Rot. Bonds4

About 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide

3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide (PubChem CID 50956881) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
PubChem CID50956881
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCOC(C)(C)CNC(=O)c1ncc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,17-3)6-15-10(16)9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyWTCOCBVJNVMILL-UHFFFAOYSA-N
XLogP1.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide (CID 50956881) is 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide is COC(C)(C)CNC(=O)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is WTCOCBVJNVMILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(2,17-3)6-15-10(16)9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide?
3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 50956881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).