3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C21H32N4O2 — CID 74423009

IUPAC3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CCC(C)C
InChIInChI=1S/C21H32N4O2/c1-5-7-18-19(15-24(6-2)12-10-16(3)4)25-13-11-17(14-20(25)22-18)8-9-21(26)23-27/h8-9,11,13-14,16,27H,5-7,10,12,15H2,1-4H3,(H,23,26)
InChIKeyLLIRZQIFVKEHLK-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.67
Rot. Bonds10

About 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 74423009) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID74423009
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CCC(C)C
InChIInChI=1S/C21H32N4O2/c1-5-7-18-19(15-24(6-2)12-10-16(3)4)25-13-11-17(14-20(25)22-18)8-9-21(26)23-27/h8-9,11,13-14,16,27H,5-7,10,12,15H2,1-4H3,(H,23,26)
InChIKeyLLIRZQIFVKEHLK-UHFFFAOYSA-N
XLogP3.67
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74421942
3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74422918
3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74424772
(E)-3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25063459
(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25053940
3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74371496
(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951204
N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 73151485
(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 11951106
3-[2-tert-butyl-3-[[2-(diethylamino)ethylamino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151454
(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25054219
3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74371730

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 74423009) is 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CCC(C)C.
What is the InChIKey of 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is LLIRZQIFVKEHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-5-7-18-19(15-24(6-2)12-10-16(3)4)25-13-11-17(14-20(25)22-18)8-9-21(26)23-27/h8-9,11,13-14,16,27H,5-7,10,12,15H2,1-4H3,(H,23,26).
What are the key properties of 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 372.51 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).