1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione

C15H20N4O2 — CID 171799931

IUPAC1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(N2CC(N3CCC(=O)NC3=O)C2)nc1
InChIInChI=1S/C15H20N4O2/c1-10(2)11-3-4-13(16-7-11)18-8-12(9-18)19-6-5-14(20)17-15(19)21/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,17,20,21)
InChIKeyZGLPAQAUSRHEQE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.34
Rot. Bonds3

About 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione

1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171799931) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171799931
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(N2CC(N3CCC(=O)NC3=O)C2)nc1
InChIInChI=1S/C15H20N4O2/c1-10(2)11-3-4-13(16-7-11)18-8-12(9-18)19-6-5-14(20)17-15(19)21/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,17,20,21)
InChIKeyZGLPAQAUSRHEQE-UHFFFAOYSA-N
XLogP1.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
CID 59019290
3-[1-[[6-[3-(2,4-dioxo-1,3-diazinan-1-yl)azetidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]propanal
CID 171799872
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
1-[1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]azetidin-3-ol
CID 163566673
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
5-(5-propan-2-yl-2-pyridinyl)-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 155198546
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247
5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine
CID 90991499
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine
CID 20811492
N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123428625

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione (CID 171799931) is 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione is CC(C)c1ccc(N2CC(N3CCC(=O)NC3=O)C2)nc1.
What is the InChIKey of 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZGLPAQAUSRHEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)11-3-4-13(16-7-11)18-8-12(9-18)19-6-5-14(20)17-15(19)21/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,17,20,21).
What are the key properties of 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione?
1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171799931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).