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

C13H20N4O — CID 168699241

IUPAC4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
SMILESCCN(CC)c1ccc(N2CC(N)CC2=O)cn1
InChIInChI=1S/C13H20N4O/c1-3-16(4-2)12-6-5-11(8-15-12)17-9-10(14)7-13(17)18/h5-6,8,10H,3-4,7,9,14H2,1-2H3
InChIKeySXHHXBNRIMQUHR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.99
Rot. Bonds4

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

4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one (PubChem CID 168699241) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
PubChem CID168699241
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
SMILESCCN(CC)c1ccc(N2CC(N)CC2=O)cn1
InChIInChI=1S/C13H20N4O/c1-3-16(4-2)12-6-5-11(8-15-12)17-9-10(14)7-13(17)18/h5-6,8,10H,3-4,7,9,14H2,1-2H3
InChIKeySXHHXBNRIMQUHR-UHFFFAOYSA-N
XLogP0.99
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687443
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168699445
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(6-anilino-3-pyridinyl)pyrrolidin-2-one
CID 168700669
4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one
CID 168700637
4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one (CID 168699241) is 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one is CCN(CC)c1ccc(N2CC(N)CC2=O)cn1.
What is the InChIKey of 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is SXHHXBNRIMQUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-16(4-2)12-6-5-11(8-15-12)17-9-10(14)7-13(17)18/h5-6,8,10H,3-4,7,9,14H2,1-2H3.
What are the key properties of 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 168699241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).