4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C14H21N3O3 — CID 66054111

IUPAC4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H21N3O3/c1-15(2)8-11-7-12(18)9-17(11)14(20)10-4-5-16(3)13(19)6-10/h4-6,11-12,18H,7-9H2,1-3H3
InChIKeyPERNUEGGIPYMDR-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.48
Rot. Bonds3

About 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 66054111) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID66054111
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H21N3O3/c1-15(2)8-11-7-12(18)9-17(11)14(20)10-4-5-16(3)13(19)6-10/h4-6,11-12,18H,7-9H2,1-3H3
InChIKeyPERNUEGGIPYMDR-UHFFFAOYSA-N
XLogP-0.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 66054111) is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is CN(C)CC1CC(O)CN1C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is PERNUEGGIPYMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-15(2)8-11-7-12(18)9-17(11)14(20)10-4-5-16(3)13(19)6-10/h4-6,11-12,18H,7-9H2,1-3H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 66054111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).