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

C14H20BrN3O3 — CID 66053915

IUPAC5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H20BrN3O3/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,5,7-9H2,1-2H3
InChIKeyCRJAKHHHPVAOAP-UHFFFAOYSA-N
MW358.24 g/mol
LogP0.13
Rot. Bonds4

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

5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 66053915) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID66053915
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H20BrN3O3/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,5,7-9H2,1-2H3
InChIKeyCRJAKHHHPVAOAP-UHFFFAOYSA-N
XLogP0.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 128988260
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5-Bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
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2-(5-bromo-2-oxo-1-pyridinyl)-N-cyclopentyl-N-(2-hydroxyethyl)acetamide
CID 61584849
5-Bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62467197
5-Bromo-1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 62917110
1-[3-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 66053161
4-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 66054111
5-Amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 66055783
5-Amino-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyridin-2-one
CID 66056574
5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 66261369

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 66053915) is 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is CN(C)CC1CC(O)CN1C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is CRJAKHHHPVAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/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,5,7-9H2,1-2H3.
What are the key properties of 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 358.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 66053915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).