[6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone

C19H24N4O — CID 146592636

IUPAC[6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCC(C)(C)Nc1ccc(C(=O)N2CC(C)(c3ccccn3)C2)cn1
InChIInChI=1S/C19H24N4O/c1-18(2,3)22-16-9-8-14(11-21-16)17(24)23-12-19(4,13-23)15-7-5-6-10-20-15/h5-11H,12-13H2,1-4H3,(H,21,22)
InChIKeyASBJFLGCEWFOAZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.10
Rot. Bonds3

About [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone

[6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 146592636) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone
PubChem CID146592636
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCC(C)(C)Nc1ccc(C(=O)N2CC(C)(c3ccccn3)C2)cn1
InChIInChI=1S/C19H24N4O/c1-18(2,3)22-16-9-8-14(11-21-16)17(24)23-12-19(4,13-23)15-7-5-6-10-20-15/h5-11H,12-13H2,1-4H3,(H,21,22)
InChIKeyASBJFLGCEWFOAZ-UHFFFAOYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone?
The IUPAC name of [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone (CID 146592636) is [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone is CC(C)(C)Nc1ccc(C(=O)N2CC(C)(c3ccccn3)C2)cn1.
What is the InChIKey of [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone?
The InChIKey is ASBJFLGCEWFOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-18(2,3)22-16-9-8-14(11-21-16)17(24)23-12-19(4,13-23)15-7-5-6-10-20-15/h5-11H,12-13H2,1-4H3,(H,21,22).
What are the key properties of [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone?
[6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(tert-butylamino)-3-pyridinyl]-(3-methyl-3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 146592636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).