1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one

C14H21N3O — CID 113421240

IUPAC1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cc(NC)ccn2)C1
InChIInChI=1S/C14H21N3O/c1-3-4-11-7-14(18)17(9-11)10-13-8-12(15-2)5-6-16-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,15,16)
InChIKeyXFYWAWVWLSOGKB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds5

About 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one

1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 113421240) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
PubChem CID113421240
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cc(NC)ccn2)C1
InChIInChI=1S/C14H21N3O/c1-3-4-11-7-14(18)17(9-11)10-13-8-12(15-2)5-6-16-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,15,16)
InChIKeyXFYWAWVWLSOGKB-UHFFFAOYSA-N
XLogP2.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512673
1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one
CID 79251638
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512683
4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 104512672
N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 112549006
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine
CID 115561757
1-[(2-chloro-3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 67521377
ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one
CID 143347755
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
3-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzonitrile
CID 114481439

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one (CID 113421240) is 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2cc(NC)ccn2)C1.
What is the InChIKey of 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is XFYWAWVWLSOGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-11-7-14(18)17(9-11)10-13-8-12(15-2)5-6-16-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,15,16).
What are the key properties of 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 113421240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).