1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one

C10H13N3O — CID 79251120

IUPAC1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESNc1ccnc(CN2CCCC2=O)c1
InChIInChI=1S/C10H13N3O/c11-8-3-4-12-9(6-8)7-13-5-1-2-10(13)14/h3-4,6H,1-2,5,7H2,(H2,11,12)
InChIKeyGRNMFSZWOLTBGF-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.79
Rot. Bonds2

About 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one

1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 79251120) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID79251120
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESNc1ccnc(CN2CCCC2=O)c1
InChIInChI=1S/C10H13N3O/c11-8-3-4-12-9(6-8)7-13-5-1-2-10(13)14/h3-4,6H,1-2,5,7H2,(H2,11,12)
InChIKeyGRNMFSZWOLTBGF-UHFFFAOYSA-N
XLogP0.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one (CID 79251120) is 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one is Nc1ccnc(CN2CCCC2=O)c1.
What is the InChIKey of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is GRNMFSZWOLTBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-3-4-12-9(6-8)7-13-5-1-2-10(13)14/h3-4,6H,1-2,5,7H2,(H2,11,12).
What are the key properties of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one?
1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 79251120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).