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

C21H32N4O2 — CID 24951209

IUPAC(E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCN(Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12)CC(C)(C)C
InChIInChI=1S/C21H32N4O2/c1-20(2,3)14-24(7)13-16-19(21(4,5)6)22-17-12-15(10-11-25(16)17)8-9-18(26)23-27/h8-12,27H,13-14H2,1-7H3,(H,23,26)/b9-8+
InChIKeyUPOWPUNCKUONQK-CMDGGOBGSA-N
MW372.51 g/mol
LogP3.63
Rot. Bonds5

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

(E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 24951209) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID24951209
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCN(Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12)CC(C)(C)C
InChIInChI=1S/C21H32N4O2/c1-20(2,3)14-24(7)13-16-19(21(4,5)6)22-17-12-15(10-11-25(16)17)8-9-18(26)23-27/h8-12,27H,13-14H2,1-7H3,(H,23,26)/b9-8+
InChIKeyUPOWPUNCKUONQK-CMDGGOBGSA-N
XLogP3.63
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (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) is (E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)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-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CN(Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12)CC(C)(C)C.
What is the InChIKey of (E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is UPOWPUNCKUONQK-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-20(2,3)14-24(7)13-16-19(21(4,5)6)22-17-12-15(10-11-25(16)17)8-9-18(26)23-27/h8-12,27H,13-14H2,1-7H3,(H,23,26)/b9-8+.
What are the key properties of (E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 372.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24951209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).