1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one

C15H15N3O — CID 142612606

IUPAC1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
SMILESNc1ccc(-c2ccc(N3CCCC3=O)cc2)cn1
InChIInChI=1S/C15H15N3O/c16-14-8-5-12(10-17-14)11-3-6-13(7-4-11)18-9-1-2-15(18)19/h3-8,10H,1-2,9H2,(H2,16,17)
InChIKeyGMULPGZVASEMQV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.46
Rot. Bonds2

About 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one

1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one (PubChem CID 142612606) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
PubChem CID142612606
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
SMILESNc1ccc(-c2ccc(N3CCCC3=O)cc2)cn1
InChIInChI=1S/C15H15N3O/c16-14-8-5-12(10-17-14)11-3-6-13(7-4-11)18-9-1-2-15(18)19/h3-8,10H,1-2,9H2,(H2,16,17)
InChIKeyGMULPGZVASEMQV-UHFFFAOYSA-N
XLogP2.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one (CID 142612606) is 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one is Nc1ccc(-c2ccc(N3CCCC3=O)cc2)cn1.
What is the InChIKey of 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one?
The InChIKey is GMULPGZVASEMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-14-8-5-12(10-17-14)11-3-6-13(7-4-11)18-9-1-2-15(18)19/h3-8,10H,1-2,9H2,(H2,16,17).
What are the key properties of 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one?
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 142612606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).