N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide

C18H25F2N3O2 — CID 90204897

IUPACN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C18H25F2N3O2/c1-17(2,3)22(4)16(24)13-7-8-14(23-10-18(19,20)11-23)15(21-13)25-9-12-5-6-12/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyVUESTDLJPDIYNK-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.20
Rot. Bonds5

About N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide

N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide (PubChem CID 90204897) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide
PubChem CID90204897
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C18H25F2N3O2/c1-17(2,3)22(4)16(24)13-7-8-14(23-10-18(19,20)11-23)15(21-13)25-9-12-5-6-12/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyVUESTDLJPDIYNK-UHFFFAOYSA-N
XLogP3.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide (CID 90204897) is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is VUESTDLJPDIYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-17(2,3)22(4)16(24)13-7-8-14(23-10-18(19,20)11-23)15(21-13)25-9-12-5-6-12/h7-8,12H,5-6,9-11H2,1-4H3.
What are the key properties of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide?
N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 90204897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).