3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C12H17N5O2 — CID 177365412

IUPAC3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCN(C)CCCNc1ccc(-c2noc(=O)[nH]2)nc1
InChIInChI=1S/C12H17N5O2/c1-17(2)7-3-6-13-9-4-5-10(14-8-9)11-15-12(18)19-16-11/h4-5,8,13H,3,6-7H2,1-2H3,(H,15,16,18)
InChIKeyAXHIVFGZDGPNIL-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.79
Rot. Bonds6

About 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177365412) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177365412
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCN(C)CCCNc1ccc(-c2noc(=O)[nH]2)nc1
InChIInChI=1S/C12H17N5O2/c1-17(2)7-3-6-13-9-4-5-10(14-8-9)11-15-12(18)19-16-11/h4-5,8,13H,3,6-7H2,1-2H3,(H,15,16,18)
InChIKeyAXHIVFGZDGPNIL-UHFFFAOYSA-N
XLogP0.79
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-[3-(dimethylamino)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365430
3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365451
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
CID 113025774
4-[[5-[3-(dimethylamino)propylamino]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187475
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56646931
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109186130
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N',N'-dimethyl-N-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 114525043
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 177365412) is 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is CN(C)CCCNc1ccc(-c2noc(=O)[nH]2)nc1.
What is the InChIKey of 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is AXHIVFGZDGPNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-17(2)7-3-6-13-9-4-5-10(14-8-9)11-15-12(18)19-16-11/h4-5,8,13H,3,6-7H2,1-2H3,(H,15,16,18).
What are the key properties of 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 263.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177365412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).