4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one

C10H13N3O — CID 172723716

IUPAC4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(c2cccc(N)n2)CC1=O
InChIInChI=1S/C10H13N3O/c1-13-6-7(5-10(13)14)8-3-2-4-9(11)12-8/h2-4,7H,5-6H2,1H3,(H2,11,12)
InChIKeyGWASWZMWPWCVQR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.61
Rot. Bonds1

About 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one

4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one (PubChem CID 172723716) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one
PubChem CID172723716
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(c2cccc(N)n2)CC1=O
InChIInChI=1S/C10H13N3O/c1-13-6-7(5-10(13)14)8-3-2-4-9(11)12-8/h2-4,7H,5-6H2,1H3,(H2,11,12)
InChIKeyGWASWZMWPWCVQR-UHFFFAOYSA-N
XLogP0.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one (CID 172723716) is 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one is CN1CC(c2cccc(N)n2)CC1=O.
What is the InChIKey of 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one?
The InChIKey is GWASWZMWPWCVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-6-7(5-10(13)14)8-3-2-4-9(11)12-8/h2-4,7H,5-6H2,1H3,(H2,11,12).
What are the key properties of 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one?
4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 172723716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).