(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C24H38N4O2 — CID 25053940

IUPAC(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CN(CC)CCC(C)(C)C
InChIInChI=1S/C24H38N4O2/c1-6-8-9-10-20-21(18-27(7-2)16-14-24(3,4)5)28-15-13-19(17-22(28)25-20)11-12-23(29)26-30/h11-13,15,17,30H,6-10,14,16,18H2,1-5H3,(H,26,29)/b12-11+
InChIKeyLXYBOYMSYIWYMJ-VAWYXSNFSA-N
MW414.59 g/mol
LogP4.84
Rot. Bonds11

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

(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 25053940) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID25053940
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CN(CC)CCC(C)(C)C
InChIInChI=1S/C24H38N4O2/c1-6-8-9-10-20-21(18-27(7-2)16-14-24(3,4)5)28-15-13-19(17-22(28)25-20)11-12-23(29)26-30/h11-13,15,17,30H,6-10,14,16,18H2,1-5H3,(H,26,29)/b12-11+
InChIKeyLXYBOYMSYIWYMJ-VAWYXSNFSA-N
XLogP4.84
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 25053940) is (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CN(CC)CCC(C)(C)C.
What is the InChIKey of (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is LXYBOYMSYIWYMJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-6-8-9-10-20-21(18-27(7-2)16-14-24(3,4)5)28-15-13-19(17-22(28)25-20)11-12-23(29)26-30/h11-13,15,17,30H,6-10,14,16,18H2,1-5H3,(H,26,29)/b12-11+.
What are the key properties of (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 414.59 g/mol, XLogP of 4.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 25053940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).