N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide

C14H20N2O2 — CID 126809112

IUPACN-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
SMILESCC=CC(=O)NCc1cccnc1OCCCC
InChIInChI=1S/C14H20N2O2/c1-3-5-10-18-14-12(8-6-9-15-14)11-16-13(17)7-4-2/h4,6-9H,3,5,10-11H2,1-2H3,(H,16,17)
InChIKeyDDVGDWDLINZEOK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.45
Rot. Bonds7

About N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide

N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide (PubChem CID 126809112) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide.

Molecular Properties

Compound NameN-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
PubChem CID126809112
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
SMILESCC=CC(=O)NCc1cccnc1OCCCC
InChIInChI=1S/C14H20N2O2/c1-3-5-10-18-14-12(8-6-9-15-14)11-16-13(17)7-4-2/h4,6-9H,3,5,10-11H2,1-2H3,(H,16,17)
InChIKeyDDVGDWDLINZEOK-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide 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

(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 126829299
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836
N-[(2-butoxy-3-pyridinyl)methyl]-2-chloro-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166427986
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520
(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
(4R)-N-[(2-butoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 126840794
1-[(2-butoxy-3-pyridinyl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895141
1-[(2-butoxy-3-pyridinyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968267
N-[(2-butoxy-3-pyridinyl)methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 126804329

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide?
The IUPAC name of N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide (CID 126809112) is N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide.
What is the SMILES notation for N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide?
The canonical SMILES for N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide is CC=CC(=O)NCc1cccnc1OCCCC.
What is the InChIKey of N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide?
The InChIKey is DDVGDWDLINZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-5-10-18-14-12(8-6-9-15-14)11-16-13(17)7-4-2/h4,6-9H,3,5,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide?
N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide is sourced from PubChem (CID 126809112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).