(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C17H24N4O2 — CID 25054219

IUPAC(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CNC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-5-13-14(11-18-17(2,3)4)21-9-8-12(10-15(21)19-13)6-7-16(22)20-23/h6-10,18,23H,5,11H2,1-4H3,(H,20,22)/b7-6+
InChIKeyZEUKLCWTQPGKQK-VOTSOKGWSA-N
MW316.41 g/mol
LogP2.30
Rot. Bonds5

About (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 25054219) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID25054219
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CNC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-5-13-14(11-18-17(2,3)4)21-9-8-12(10-15(21)19-13)6-7-16(22)20-23/h6-10,18,23H,5,11H2,1-4H3,(H,20,22)/b7-6+
InChIKeyZEUKLCWTQPGKQK-VOTSOKGWSA-N
XLogP2.30
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 25054219) is (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCc1nc2cc(/C=C/C(=O)NO)ccn2c1CNC(C)(C)C.
What is the InChIKey of (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is ZEUKLCWTQPGKQK-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-13-14(11-18-17(2,3)4)21-9-8-12(10-15(21)19-13)6-7-16(22)20-23/h6-10,18,23H,5,11H2,1-4H3,(H,20,22)/b7-6+.
What are the key properties of (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 316.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 25054219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).