1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one

C19H19N3O — CID 70925812

IUPAC1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one
SMILESCN1C(=O)C(c2ccc(C#Cc3cccnc3)cn2)CC1(C)C
InChIInChI=1S/C19H19N3O/c1-19(2)11-16(18(23)22(19)3)17-9-8-15(13-21-17)7-6-14-5-4-10-20-12-14/h4-5,8-10,12-13,16H,11H2,1-3H3
InChIKeySKLUJWCJEMDWKZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.60
Rot. Bonds1

About 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one

1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 70925812) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID70925812
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one
SMILESCN1C(=O)C(c2ccc(C#Cc3cccnc3)cn2)CC1(C)C
InChIInChI=1S/C19H19N3O/c1-19(2)11-16(18(23)22(19)3)17-9-8-15(13-21-17)7-6-14-5-4-10-20-12-14/h4-5,8-10,12-13,16H,11H2,1-3H3
InChIKeySKLUJWCJEMDWKZ-UHFFFAOYSA-N
XLogP2.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one (CID 70925812) is 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one is CN1C(=O)C(c2ccc(C#Cc3cccnc3)cn2)CC1(C)C.
What is the InChIKey of 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is SKLUJWCJEMDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(2)11-16(18(23)22(19)3)17-9-8-15(13-21-17)7-6-14-5-4-10-20-12-14/h4-5,8-10,12-13,16H,11H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one?
1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 70925812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).