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

C19H28N4O2 — CID 74424772

IUPAC3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCN(CC)Cc1c(CC)nc2cc(C=CC(=O)NO)ccn12
InChIInChI=1S/C19H28N4O2/c1-4-7-11-22(6-3)14-17-16(5-2)20-18-13-15(10-12-23(17)18)8-9-19(24)21-25/h8-10,12-13,25H,4-7,11,14H2,1-3H3,(H,21,24)
InChIKeyPJELLURCDOQCAG-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.04
Rot. Bonds9

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

3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 74424772) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID74424772
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCN(CC)Cc1c(CC)nc2cc(C=CC(=O)NO)ccn12
InChIInChI=1S/C19H28N4O2/c1-4-7-11-22(6-3)14-17-16(5-2)20-18-13-15(10-12-23(17)18)8-9-19(24)21-25/h8-10,12-13,25H,4-7,11,14H2,1-3H3,(H,21,24)
InChIKeyPJELLURCDOQCAG-UHFFFAOYSA-N
XLogP3.04
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.04
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

(E)-3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25063459
3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74371496
(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25053940
(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951204
3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74423009
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
(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25054219
N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 73151485
3-[2-tert-butyl-3-[[2-(diethylamino)ethylamino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151454
(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 11951106
N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 73151363

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 74424772) is 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCN(CC)Cc1c(CC)nc2cc(C=CC(=O)NO)ccn12.
What is the InChIKey of 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is PJELLURCDOQCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-7-11-22(6-3)14-17-16(5-2)20-18-13-15(10-12-23(17)18)8-9-19(24)21-25/h8-10,12-13,25H,4-7,11,14H2,1-3H3,(H,21,24).
What are the key properties of 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 344.46 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74424772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).