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

C14H22N4O3 — CID 66055783

IUPAC5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C14H22N4O3/c1-16(2)7-11-5-12(19)8-18(11)14(21)9-17-6-10(15)3-4-13(17)20/h3-4,6,11-12,19H,5,7-9,15H2,1-2H3
InChIKeyPGHLABCQYVZSDM-UHFFFAOYSA-N
MW294.36 g/mol
LogP-1.05
Rot. Bonds4

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

5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 66055783) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID66055783
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C14H22N4O3/c1-16(2)7-11-5-12(19)8-18(11)14(21)9-17-6-10(15)3-4-13(17)20/h3-4,6,11-12,19H,5,7-9,15H2,1-2H3
InChIKeyPGHLABCQYVZSDM-UHFFFAOYSA-N
XLogP-1.05
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.05
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]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 66055783) is 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is CN(C)CC1CC(O)CN1C(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is PGHLABCQYVZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16(2)7-11-5-12(19)8-18(11)14(21)9-17-6-10(15)3-4-13(17)20/h3-4,6,11-12,19H,5,7-9,15H2,1-2H3.
What are the key properties of 5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 294.36 g/mol, XLogP of -1.05, 4 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]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 66055783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).