5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one

C14H24N4O2 — CID 66056574

IUPAC5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1CCn1cc(N)ccc1=O
InChIInChI=1S/C14H24N4O2/c1-16(2)9-12-7-13(19)10-17(12)5-6-18-8-11(15)3-4-14(18)20/h3-4,8,12-13,19H,5-7,9-10,15H2,1-2H3
InChIKeyXBGDHFMRYWTVSS-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.57
Rot. Bonds5

About 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one

5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one (PubChem CID 66056574) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one
PubChem CID66056574
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1CCn1cc(N)ccc1=O
InChIInChI=1S/C14H24N4O2/c1-16(2)9-12-7-13(19)10-17(12)5-6-18-8-11(15)3-4-14(18)20/h3-4,8,12-13,19H,5-7,9-10,15H2,1-2H3
InChIKeyXBGDHFMRYWTVSS-UHFFFAOYSA-N
XLogP-0.57
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one (CID 66056574) is 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one is CN(C)CC1CC(O)CN1CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is XBGDHFMRYWTVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16(2)9-12-7-13(19)10-17(12)5-6-18-8-11(15)3-4-14(18)20/h3-4,8,12-13,19H,5-7,9-10,15H2,1-2H3.
What are the key properties of 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one?
5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 280.37 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 66056574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).