2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione

C15H17N3O2 — CID 18717433

IUPAC2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILESC=C1CCN2C(=O)N(c3ncc(C)cc3C)C(=O)C2C1
InChIInChI=1S/C15H17N3O2/c1-9-4-5-17-12(7-9)14(19)18(15(17)20)13-11(3)6-10(2)8-16-13/h6,8,12H,1,4-5,7H2,2-3H3
InChIKeyJXQZVYCMQZOAEN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.19
Rot. Bonds1

About 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione

2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione (PubChem CID 18717433) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
PubChem CID18717433
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILESC=C1CCN2C(=O)N(c3ncc(C)cc3C)C(=O)C2C1
InChIInChI=1S/C15H17N3O2/c1-9-4-5-17-12(7-9)14(19)18(15(17)20)13-11(3)6-10(2)8-16-13/h6,8,12H,1,4-5,7H2,2-3H3
InChIKeyJXQZVYCMQZOAEN-UHFFFAOYSA-N
XLogP2.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-2-pyridinyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717431
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 18717330
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717440
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168504473
(2S)-4-(3,5-dimethyl-2-pyridinyl)piperazine-1,2-dicarboxylic acid
CID 134494744
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
8-(cyclopropylmethyl)-5,12-dimethyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167192487
[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol
CID 134494366
carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl] methanesulfonate
CID 18717445

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione (CID 18717433) is 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is C=C1CCN2C(=O)N(c3ncc(C)cc3C)C(=O)C2C1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is JXQZVYCMQZOAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-4-5-17-12(7-9)14(19)18(15(17)20)13-11(3)6-10(2)8-16-13/h6,8,12H,1,4-5,7H2,2-3H3.
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 271.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18717433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).