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

C23H36N4O2 — CID 74422918

IUPAC3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CC(C)CCC
InChIInChI=1S/C23H36N4O2/c1-5-8-10-20-21(17-26(7-3)16-18(4)9-6-2)27-14-13-19(15-22(27)24-20)11-12-23(28)25-29/h11-15,18,29H,5-10,16-17H2,1-4H3,(H,25,28)
InChIKeyHQAWIENKLMQWHU-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.45
Rot. Bonds12

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

3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 74422918) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID74422918
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CC(C)CCC
InChIInChI=1S/C23H36N4O2/c1-5-8-10-20-21(17-26(7-3)16-18(4)9-6-2)27-14-13-19(15-22(27)24-20)11-12-23(28)25-29/h11-15,18,29H,5-10,16-17H2,1-4H3,(H,25,28)
InChIKeyHQAWIENKLMQWHU-UHFFFAOYSA-N
XLogP4.45
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.45
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-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74423009
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
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
3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74421942
(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951204
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
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
(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-[[2-(diethylamino)ethylamino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151454

Frequently Asked Questions

What is the IUPAC name of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 74422918) is 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCc1nc2cc(C=CC(=O)NO)ccn2c1CN(CC)CC(C)CCC.
What is the InChIKey of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is HQAWIENKLMQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-5-8-10-20-21(17-26(7-3)16-18(4)9-6-2)27-14-13-19(15-22(27)24-20)11-12-23(28)25-29/h11-15,18,29H,5-10,16-17H2,1-4H3,(H,25,28).
What are the key properties of 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 400.57 g/mol, XLogP of 4.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74422918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).