3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one

C19H25N3O3 — CID 136628067

IUPAC3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(C=NOCCN3CCCC3)o2)c(C)[nH]c1=O
InChIInChI=1S/C19H25N3O3/c1-3-15-12-17(14(2)21-19(15)23)18-7-6-16(25-18)13-20-24-11-10-22-8-4-5-9-22/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,21,23)
InChIKeyYSVZWKVTFZVLLF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.95
Rot. Bonds7

About 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one

3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one (PubChem CID 136628067) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one
PubChem CID136628067
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(C=NOCCN3CCCC3)o2)c(C)[nH]c1=O
InChIInChI=1S/C19H25N3O3/c1-3-15-12-17(14(2)21-19(15)23)18-7-6-16(25-18)13-20-24-11-10-22-8-4-5-9-22/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,21,23)
InChIKeyYSVZWKVTFZVLLF-UHFFFAOYSA-N
XLogP2.95
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride
CID 67492090
3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one
CID 67492595
ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 143120430
5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one
CID 143120448
3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one
CID 135530195
5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304950
3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
CID 173100165
1-[2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 155543637
5-bromo-3-ethyl-6-methyl-1H-pyridin-2-one
CID 20779274
(3R)-1-[2-[(Z)-(2-methylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
CID 131719890
methyl (1E)-N-(2-pyrrolidin-1-ylethoxy)methanimidothioate
CID 172981442
2-[2-(2-pyrrolidin-1-ylethoxyimino)ethyl]naphthalene-1-carboxamide
CID 140578840

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one (CID 136628067) is 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one is CCc1cc(-c2ccc(C=NOCCN3CCCC3)o2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one?
The InChIKey is YSVZWKVTFZVLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-15-12-17(14(2)21-19(15)23)18-7-6-16(25-18)13-20-24-11-10-22-8-4-5-9-22/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,21,23).
What are the key properties of 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one?
3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-[5-(2-pyrrolidin-1-ylethoxyiminomethyl)furan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136628067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).