3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide

C21H24N4O2 — CID 74373213

IUPAC3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)NCc1c(-c2ccccc2)nc2ccc(C=CC(=O)NO)cn12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)22-13-17-20(16-7-5-4-6-8-16)23-18-11-9-15(14-25(17)18)10-12-19(26)24-27/h4-12,14,22,27H,13H2,1-3H3,(H,24,26)
InChIKeyLLNCDFAOHPFRMT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.41
Rot. Bonds5

About 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide

3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide (PubChem CID 74373213) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
PubChem CID74373213
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)NCc1c(-c2ccccc2)nc2ccc(C=CC(=O)NO)cn12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)22-13-17-20(16-7-5-4-6-8-16)23-18-11-9-15(14-25(17)18)10-12-19(26)24-27/h4-12,14,22,27H,13H2,1-3H3,(H,24,26)
InChIKeyLLNCDFAOHPFRMT-UHFFFAOYSA-N
XLogP3.41
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
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-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25054219
(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 11951106
N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 73151485
(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11951456
(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 143296646
3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 11950379
ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 11792775
3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881175
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11951459
3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151542
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide (CID 74373213) is 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide is CC(C)(C)NCc1c(-c2ccccc2)nc2ccc(C=CC(=O)NO)cn12.
What is the InChIKey of 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The InChIKey is LLNCDFAOHPFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)22-13-17-20(16-7-5-4-6-8-16)23-18-11-9-15(14-25(17)18)10-12-19(26)24-27/h4-12,14,22,27H,13H2,1-3H3,(H,24,26).
What are the key properties of 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74373213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).