6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one

C16H23N3O4 — CID 167852243

IUPAC6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one
SMILESCOC(OC)c1ccc(C(=O)N2CC(N3CCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O4/c1-22-16(23-2)13-6-5-12(14(20)17-13)15(21)19-9-11(10-19)18-7-3-4-8-18/h5-6,11,16H,3-4,7-10H2,1-2H3,(H,17,20)
InChIKeyNDCQLCIRDBMKDU-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.59
Rot. Bonds5

About 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one

6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 167852243) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID167852243
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one
SMILESCOC(OC)c1ccc(C(=O)N2CC(N3CCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O4/c1-22-16(23-2)13-6-5-12(14(20)17-13)15(21)19-9-11(10-19)18-7-3-4-8-18/h5-6,11,16H,3-4,7-10H2,1-2H3,(H,17,20)
InChIKeyNDCQLCIRDBMKDU-UHFFFAOYSA-N
XLogP0.59
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
CID 128952319
3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977450
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
(4-bromo-2-propan-2-yloxyphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 86839386
formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 154914655
3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 46969823
3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 56880850
3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455

Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one (CID 167852243) is 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one is COC(OC)c1ccc(C(=O)N2CC(N3CCCC3)C2)c(=O)[nH]1.
What is the InChIKey of 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is NDCQLCIRDBMKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-16(23-2)13-6-5-12(14(20)17-13)15(21)19-9-11(10-19)18-7-3-4-8-18/h5-6,11,16H,3-4,7-10H2,1-2H3,(H,17,20).
What are the key properties of 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 321.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 167852243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).