1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

C18H23N3O3 — CID 96513043

IUPAC1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H]1N(C)C
InChIInChI=1S/C18H23N3O3/c1-13-10-21(12-15(13)19(2)3)18(23)16-8-7-14(24-16)11-20-9-5-4-6-17(20)22/h4-9,13,15H,10-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyHYOYJRPRYASBCB-UKRRQHHQSA-N
MW329.40 g/mol
LogP1.51
Rot. Bonds4

About 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (PubChem CID 96513043) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
PubChem CID96513043
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H]1N(C)C
InChIInChI=1S/C18H23N3O3/c1-13-10-21(12-15(13)19(2)3)18(23)16-8-7-14(24-16)11-20-9-5-4-6-17(20)22/h4-9,13,15H,10-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyHYOYJRPRYASBCB-UKRRQHHQSA-N
XLogP1.51
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

1-[[5-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97026177
1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 124589659
1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 71899552
1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97256064
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
CID 71927748
(3S)-1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 124703095
1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 119597097
1-[[5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 134024817
N-cyclopropyl-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide
CID 134024734
1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
CID 134024324
2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]chromen-4-one
CID 96512747
1-[[5-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 98793331

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (CID 96513043) is 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H]1N(C)C.
What is the InChIKey of 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The InChIKey is HYOYJRPRYASBCB-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-10-21(12-15(13)19(2)3)18(23)16-8-7-14(24-16)11-20-9-5-4-6-17(20)22/h4-9,13,15H,10-12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 96513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).