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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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(6-amino-3-pyridinyl)piperidine-2,6-dione
CID 62899767
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 153264528
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[3-[4-[5-(3,5-ditert-butylphenyl)-2-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517215
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517299
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099

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).