1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one

C17H26N2O3 — CID 126448084

IUPAC1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCCCOC[C@@H]1CCN(C(=O)c2ccc(C)n(CC)c2=O)C1
InChIInChI=1S/C17H26N2O3/c1-4-10-22-12-14-8-9-18(11-14)16(20)15-7-6-13(3)19(5-2)17(15)21/h6-7,14H,4-5,8-12H2,1-3H3/t14-/m1/s1
InChIKeyYVDAAAYFQKIGMH-CQSZACIVSA-N
MW306.41 g/mol
LogP2.07
Rot. Bonds6

About 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one

1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 126448084) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID126448084
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCCCOC[C@@H]1CCN(C(=O)c2ccc(C)n(CC)c2=O)C1
InChIInChI=1S/C17H26N2O3/c1-4-10-22-12-14-8-9-18(11-14)16(20)15-7-6-13(3)19(5-2)17(15)21/h6-7,14H,4-5,8-12H2,1-3H3/t14-/m1/s1
InChIKeyYVDAAAYFQKIGMH-CQSZACIVSA-N
XLogP2.07
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one
CID 95552185
1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 70717837
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95782192
1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
CID 119061996
3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 72913220
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 97155685
3-methoxy-1-[2-oxo-2-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 97283444
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 56891876
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 70726778
3-[(4S)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 126451422
(3R)-N-(furan-3-ylmethyl)-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 126449674

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one (CID 126448084) is 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one is CCCOC[C@@H]1CCN(C(=O)c2ccc(C)n(CC)c2=O)C1.
What is the InChIKey of 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is YVDAAAYFQKIGMH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-10-22-12-14-8-9-18(11-14)16(20)15-7-6-13(3)19(5-2)17(15)21/h6-7,14H,4-5,8-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 126448084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).