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

C21H32N4O2S — CID 24951582

IUPAC(E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCCSC)Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C21H32N4O2S/c1-6-24(11-7-13-28-5)15-17-20(21(2,3)4)22-18-14-16(10-12-25(17)18)8-9-19(26)23-27/h8-10,12,14,27H,6-7,11,13,15H2,1-5H3,(H,23,26)/b9-8+
InChIKeyNWGRUDOZZVARNF-CMDGGOBGSA-N
MW404.58 g/mol
LogP3.73
Rot. Bonds9

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

(E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 24951582) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID24951582
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name(E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCCSC)Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C21H32N4O2S/c1-6-24(11-7-13-28-5)15-17-20(21(2,3)4)22-18-14-16(10-12-25(17)18)8-9-19(26)23-27/h8-10,12,14,27H,6-7,11,13,15H2,1-5H3,(H,23,26)/b9-8+
InChIKeyNWGRUDOZZVARNF-CMDGGOBGSA-N
XLogP3.73
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24759773
(E)-3-[2-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24950887
(E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24950892
(E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951209
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839
N-{6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide
CID 54754350
(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11610262
3,3-dimethyl-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]butanamide
CID 3242115
2-[2-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide
CID 11595039
(E)-N-hydroxy-3-[4-[(2-imidazo[1,2-a]pyridin-3-ylethylamino)methyl]phenyl]prop-2-enamide
CID 53364353
(E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide
CID 11950205
(E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
CID 11950377

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 24951582) is (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCN(CCCSC)Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is NWGRUDOZZVARNF-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-6-24(11-7-13-28-5)15-17-20(21(2,3)4)22-18-14-16(10-12-25(17)18)8-9-19(26)23-27/h8-10,12,14,27H,6-7,11,13,15H2,1-5H3,(H,23,26)/b9-8+.
What are the key properties of (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 404.58 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24951582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).