5,5-diethoxy-3-pyridin-3-ylpentanamide

C14H22N2O3 — CID 174510625

IUPAC5,5-diethoxy-3-pyridin-3-ylpentanamide
SMILESCCOC(CC(CC(N)=O)c1cccnc1)OCC
InChIInChI=1S/C14H22N2O3/c1-3-18-14(19-4-2)9-12(8-13(15)17)11-6-5-7-16-10-11/h5-7,10,12,14H,3-4,8-9H2,1-2H3,(H2,15,17)
InChIKeyKSAIILGQEIDUPJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds9

About 5,5-diethoxy-3-pyridin-3-ylpentanamide

5,5-diethoxy-3-pyridin-3-ylpentanamide (PubChem CID 174510625) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5,5-diethoxy-3-pyridin-3-ylpentanamide.

Molecular Properties

Compound Name5,5-diethoxy-3-pyridin-3-ylpentanamide
PubChem CID174510625
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5,5-diethoxy-3-pyridin-3-ylpentanamide
SMILESCCOC(CC(CC(N)=O)c1cccnc1)OCC
InChIInChI=1S/C14H22N2O3/c1-3-18-14(19-4-2)9-12(8-13(15)17)11-6-5-7-16-10-11/h5-7,10,12,14H,3-4,8-9H2,1-2H3,(H2,15,17)
InChIKeyKSAIILGQEIDUPJ-UHFFFAOYSA-N
XLogP1.83
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl (3S,5R)-5-(hydroxyamino)-3,5-dipyridin-3-ylpentanoate
CID 124640185
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
CID 118946294
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 22496088
4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 114227526
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697

Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxy-3-pyridin-3-ylpentanamide?
The IUPAC name of 5,5-diethoxy-3-pyridin-3-ylpentanamide (CID 174510625) is 5,5-diethoxy-3-pyridin-3-ylpentanamide.
What is the SMILES notation for 5,5-diethoxy-3-pyridin-3-ylpentanamide?
The canonical SMILES for 5,5-diethoxy-3-pyridin-3-ylpentanamide is CCOC(CC(CC(N)=O)c1cccnc1)OCC.
What is the InChIKey of 5,5-diethoxy-3-pyridin-3-ylpentanamide?
The InChIKey is KSAIILGQEIDUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-18-14(19-4-2)9-12(8-13(15)17)11-6-5-7-16-10-11/h5-7,10,12,14H,3-4,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 5,5-diethoxy-3-pyridin-3-ylpentanamide?
5,5-diethoxy-3-pyridin-3-ylpentanamide has a molecular weight of 266.34 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxy-3-pyridin-3-ylpentanamide is sourced from PubChem (CID 174510625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).