1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one

C13H19N3O — CID 79043170

IUPAC1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCc1ncccc1N1CCC(NC(C)C)C1=O
InChIInChI=1S/C13H19N3O/c1-9(2)15-11-6-8-16(13(11)17)12-5-4-7-14-10(12)3/h4-5,7,9,11,15H,6,8H2,1-3H3
InChIKeyAOFVRFQHYZWIRV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one

1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 79043170) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID79043170
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCc1ncccc1N1CCC(NC(C)C)C1=O
InChIInChI=1S/C13H19N3O/c1-9(2)15-11-6-8-16(13(11)17)12-5-4-7-14-10(12)3/h4-5,7,9,11,15H,6,8H2,1-3H3
InChIKeyAOFVRFQHYZWIRV-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-pyridinyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79043514
1-(4-bromo-2,3-dichlorophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107794247
1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
CID 102908344
1-(4-bromo-2,5-difluorophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107608068
(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
CID 124556502
molecular hydrogen;4-[(3S)-2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159239343
(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one
CID 97021683
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932394
1-(2-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 79043608
1-(2,3-dihydro-1H-inden-2-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107849741
1-(1-benzothiophen-5-yl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 65475357

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one (CID 79043170) is 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one is Cc1ncccc1N1CCC(NC(C)C)C1=O.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is AOFVRFQHYZWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)15-11-6-8-16(13(11)17)12-5-4-7-14-10(12)3/h4-5,7,9,11,15H,6,8H2,1-3H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 79043170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).