1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one

C14H18N2O3 — CID 24773866

IUPAC1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one
SMILESCCCOc1ncccc1C(=O)C1CCN(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-9-19-13-10(5-4-7-15-13)12(17)11-6-8-16(2)14(11)18/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyYETRKPFXRAMOKC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds5

About 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one

1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one (PubChem CID 24773866) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one
PubChem CID24773866
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one
SMILESCCCOc1ncccc1C(=O)C1CCN(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-9-19-13-10(5-4-7-15-13)12(17)11-6-8-16(2)14(11)18/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyYETRKPFXRAMOKC-UHFFFAOYSA-N
XLogP1.53
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(3-propoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106258259
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106258348
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198904
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
1-(2-ethoxy-3-pyridinyl)hexan-1-one
CID 86237866
3-iodo-2-propoxypyridine
CID 42553132
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 162628560
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 67938930

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one (CID 24773866) is 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one is CCCOc1ncccc1C(=O)C1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is YETRKPFXRAMOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-9-19-13-10(5-4-7-15-13)12(17)11-6-8-16(2)14(11)18/h4-5,7,11H,3,6,8-9H2,1-2H3.
What are the key properties of 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one?
1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-propoxypyridine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 24773866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).