N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide

C15H22N2O2 — CID 10706623

IUPACN-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide
SMILESCCCCO/C=C/c1c(C)cc(NC(C)=O)nc1C
InChIInChI=1S/C15H22N2O2/c1-5-6-8-19-9-7-14-11(2)10-15(16-12(14)3)17-13(4)18/h7,9-10H,5-6,8H2,1-4H3,(H,16,17,18)/b9-7+
InChIKeyNQDONIFKBBCUCC-VQHVLOKHSA-N
MW262.35 g/mol
LogP3.44
Rot. Bonds6

About N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide

N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide (PubChem CID 10706623) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide
PubChem CID10706623
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide
SMILESCCCCO/C=C/c1c(C)cc(NC(C)=O)nc1C
InChIInChI=1S/C15H22N2O2/c1-5-6-8-19-9-7-14-11(2)10-15(16-12(14)3)17-13(4)18/h7,9-10H,5-6,8H2,1-4H3,(H,16,17,18)/b9-7+
InChIKeyNQDONIFKBBCUCC-VQHVLOKHSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide 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

N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide
CID 10848171
N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide
CID 15179565
N-(5-cyano-6-ethoxy-4-methyl-2-pyridinyl)acetamide
CID 11622644
N-(4,6-dimethyl-2-pyridinyl)hexanamide
CID 5075598
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(4,6-dimethyl-2-pyridinyl)nonanamide
CID 4047413
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide
CID 60600626
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
(2R)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280435
(2S)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280434
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-[5-(3-aminoprop-1-enyl)-6-methyl-2-pyridinyl]acetamide
CID 169464106

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide (CID 10706623) is N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide is CCCCO/C=C/c1c(C)cc(NC(C)=O)nc1C.
What is the InChIKey of N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide?
The InChIKey is NQDONIFKBBCUCC-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-6-8-19-9-7-14-11(2)10-15(16-12(14)3)17-13(4)18/h7,9-10H,5-6,8H2,1-4H3,(H,16,17,18)/b9-7+.
What are the key properties of N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide?
N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide is sourced from PubChem (CID 10706623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).