N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide

C20H28F2N4O3 — CID 90204281

IUPACN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCNC(=O)CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C20H28F2N4O3/c1-19(2,3)26(9-16(27)23-4)18(28)14-7-8-15(25-11-20(21,22)12-25)17(24-14)29-10-13-5-6-13/h7-8,13H,5-6,9-12H2,1-4H3,(H,23,27)
InChIKeyZBZMGHDIAHPNPA-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.31
Rot. Bonds7

About N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide

N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 90204281) has the molecular formula C20H28F2N4O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID90204281
Molecular FormulaC20H28F2N4O3
Molecular Weight410.47 g/mol
Exact Mass410.21
IUPAC NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCNC(=O)CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C20H28F2N4O3/c1-19(2,3)26(9-16(27)23-4)18(28)14-7-8-15(25-11-20(21,22)12-25)17(24-14)29-10-13-5-6-13/h7-8,13H,5-6,9-12H2,1-4H3,(H,23,27)
InChIKeyZBZMGHDIAHPNPA-UHFFFAOYSA-N
XLogP2.31
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 90204281) is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide is CNC(=O)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-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is ZBZMGHDIAHPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O3/c1-19(2,3)26(9-16(27)23-4)18(28)14-7-8-15(25-11-20(21,22)12-25)17(24-14)29-10-13-5-6-13/h7-8,13H,5-6,9-12H2,1-4H3,(H,23,27).
What are the key properties of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 90204281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).