3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one

C15H17N3O2 — CID 123949712

IUPAC3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1cc(-c2ccc[nH]c2=O)ncc1OCCC
InChIInChI=1S/C15H17N3O2/c1-3-7-20-14-9-18-13(8-12(14)10(2)16)11-5-4-6-17-15(11)19/h4-6,8-9,16H,3,7H2,1-2H3,(H,17,19)/b16-10+
InChIKeyGMSQPTRIFUOGCA-MHWRWJLKSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds5

About 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one

3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one (PubChem CID 123949712) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one
PubChem CID123949712
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1cc(-c2ccc[nH]c2=O)ncc1OCCC
InChIInChI=1S/C15H17N3O2/c1-3-7-20-14-9-18-13(8-12(14)10(2)16)11-5-4-6-17-15(11)19/h4-6,8-9,16H,3,7H2,1-2H3,(H,17,19)/b16-10+
InChIKeyGMSQPTRIFUOGCA-MHWRWJLKSA-N
XLogP2.61
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethanimidoyl-3-propoxyphenoxy)-4-hydroxybutan-2-one
CID 123385953
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588947
3-pentoxy-1H-pyridin-2-one
CID 67377382
3-dodecoxy-1H-pyridin-2-one
CID 123606468
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588963
1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine
CID 123475923
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499
3-(6-methyl-3-pyridinyl)-1H-pyridin-2-one
CID 141047342
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
CID 82056046
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one (CID 123949712) is 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one is [H]/N=C(\C)c1cc(-c2ccc[nH]c2=O)ncc1OCCC.
What is the InChIKey of 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one?
The InChIKey is GMSQPTRIFUOGCA-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-7-20-14-9-18-13(8-12(14)10(2)16)11-5-4-6-17-15(11)19/h4-6,8-9,16H,3,7H2,1-2H3,(H,17,19)/b16-10+.
What are the key properties of 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one?
3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one is sourced from PubChem (CID 123949712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).