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

C19H26F2N4O3 — CID 90204589

IUPACN-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(C)N(CC(N)=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H26F2N4O3/c1-18(2,3)25(8-15(22)26)17(27)13-6-7-14(24-10-19(20,21)11-24)16(23-13)28-9-12-4-5-12/h6-7,12H,4-5,8-11H2,1-3H3,(H2,22,26)
InChIKeyRJUSVSNMXWHOSH-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.05
Rot. Bonds7

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

N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 90204589) has the molecular formula C19H26F2N4O3 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
PubChem CID90204589
Molecular FormulaC19H26F2N4O3
Molecular Weight396.44 g/mol
Exact Mass396.20
IUPAC NameN-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(C)N(CC(N)=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H26F2N4O3/c1-18(2,3)25(8-15(22)26)17(27)13-6-7-14(24-10-19(20,21)11-24)16(23-13)28-9-12-4-5-12/h6-7,12H,4-5,8-11H2,1-3H3,(H2,22,26)
InChIKeyRJUSVSNMXWHOSH-UHFFFAOYSA-N
XLogP2.05
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (CID 90204589) is N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is CC(C)(C)N(CC(N)=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is RJUSVSNMXWHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O3/c1-18(2,3)25(8-15(22)26)17(27)13-6-7-14(24-10-19(20,21)11-24)16(23-13)28-9-12-4-5-12/h6-7,12H,4-5,8-11H2,1-3H3,(H2,22,26).
What are the key properties of N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 90204589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).