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

C21H24N4O2 — CID 11610262

IUPAC(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)NCc1c(-c2ccccc2)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)22-14-17-20(16-7-5-4-6-8-16)23-18-13-15(11-12-25(17)18)9-10-19(26)24-27/h4-13,22,27H,14H2,1-3H3,(H,24,26)/b10-9+
InChIKeySPJNUOFOQIVWAF-MDZDMXLPSA-N
MW364.45 g/mol
LogP3.41
Rot. Bonds5

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

(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 11610262) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID11610262
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)NCc1c(-c2ccccc2)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)22-14-17-20(16-7-5-4-6-8-16)23-18-13-15(11-12-25(17)18)9-10-19(26)24-27/h4-13,22,27H,14H2,1-3H3,(H,24,26)/b10-9+
InChIKeySPJNUOFOQIVWAF-MDZDMXLPSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 11610262) is (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CC(C)(C)NCc1c(-c2ccccc2)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is SPJNUOFOQIVWAF-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)22-14-17-20(16-7-5-4-6-8-16)23-18-13-15(11-12-25(17)18)9-10-19(26)24-27/h4-13,22,27H,14H2,1-3H3,(H,24,26)/b10-9+.
What are the key properties of (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-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 (E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11610262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).