1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone

C16H25N3O — CID 144655947

IUPAC1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone
SMILESCCC(C)(C)c1cc(NC2CN(C(C)=O)C2)ncc1C
InChIInChI=1S/C16H25N3O/c1-6-16(4,5)14-7-15(17-8-11(14)2)18-13-9-19(10-13)12(3)20/h7-8,13H,6,9-10H2,1-5H3,(H,17,18)
InChIKeyKNKQIIXPCUQDIY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone

1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone (PubChem CID 144655947) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone
PubChem CID144655947
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone
SMILESCCC(C)(C)c1cc(NC2CN(C(C)=O)C2)ncc1C
InChIInChI=1S/C16H25N3O/c1-6-16(4,5)14-7-15(17-8-11(14)2)18-13-9-19(10-13)12(3)20/h7-8,13H,6,9-10H2,1-5H3,(H,17,18)
InChIKeyKNKQIIXPCUQDIY-UHFFFAOYSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone (CID 144655947) is 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone is CCC(C)(C)c1cc(NC2CN(C(C)=O)C2)ncc1C.
What is the InChIKey of 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone?
The InChIKey is KNKQIIXPCUQDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-16(4,5)14-7-15(17-8-11(14)2)18-13-9-19(10-13)12(3)20/h7-8,13H,6,9-10H2,1-5H3,(H,17,18).
What are the key properties of 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone?
1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-methyl-4-(2-methylbutan-2-yl)-2-pyridinyl]amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 144655947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).