[4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine

C19H28F2N5O2- — CID 159393533

IUPAC[4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
SMILESFC1(F)CN(c2cccnc2OCC2CC2)C1.[NH-]C1(CC(N)=O)CCNCC1
InChIInChI=1S/C12H14F2N2O.C7H14N3O/c13-12(14)7-16(8-12)10-2-1-5-15-11(10)17-6-9-3-4-9;8-6(11)5-7(9)1-3-10-4-2-7/h1-2,5,9H,3-4,6-8H2;9-10H,1-5H2,(H2,8,11)/q;-1
InChIKeyLMKQTEHGBKGUNG-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.36
Rot. Bonds6

About [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine

[4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine (PubChem CID 159393533) has the molecular formula C19H28F2N5O2- and a molecular weight of 396.46 g/mol. Its IUPAC name is [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine.

Molecular Properties

Compound Name[4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
PubChem CID159393533
Molecular FormulaC19H28F2N5O2-
Molecular Weight396.46 g/mol
Exact Mass396.22
IUPAC Name[4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
SMILESFC1(F)CN(c2cccnc2OCC2CC2)C1.[NH-]C1(CC(N)=O)CCNCC1
InChIInChI=1S/C12H14F2N2O.C7H14N3O/c13-12(14)7-16(8-12)10-2-1-5-15-11(10)17-6-9-3-4-9;8-6(11)5-7(9)1-3-10-4-2-7/h1-2,5,9H,3-4,6-8H2;9-10H,1-5H2,(H2,8,11)/q;-1
InChIKeyLMKQTEHGBKGUNG-UHFFFAOYSA-N
XLogP2.36
TPSA104.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
CID 141352093
3-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-(cyclopropylmethoxy)pyridine
CID 151630741
2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 162622488
N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 90204589
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 71105626
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
2-(piperidin-4-ylmethoxy)pyridin-3-ol
CID 71646429
1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol
CID 130312698
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
CID 123443174
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-2-[(3-methyl-1-pyrimidin-2-ylbutyl)amino]ethanone
CID 163807528
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
The IUPAC name of [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine (CID 159393533) is [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine.
What is the SMILES notation for [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
The canonical SMILES for [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine is FC1(F)CN(c2cccnc2OCC2CC2)C1.[NH-]C1(CC(N)=O)CCNCC1.
What is the InChIKey of [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
The InChIKey is LMKQTEHGBKGUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.C7H14N3O/c13-12(14)7-16(8-12)10-2-1-5-15-11(10)17-6-9-3-4-9;8-6(11)5-7(9)1-3-10-4-2-7/h1-2,5,9H,3-4,6-8H2;9-10H,1-5H2,(H2,8,11)/q;-1.
What are the key properties of [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
[4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine has a molecular weight of 396.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-oxoethyl)piperidin-4-yl]azanide;2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine is sourced from PubChem (CID 159393533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).