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

C19H28N4O2 — CID 25053942

IUPAC(E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)Cc1nc2cc(/C=C/C(=O)NO)ccn2c1CNC(C)(C)C
InChIInChI=1S/C19H28N4O2/c1-13(2)10-15-16(12-20-19(3,4)5)23-9-8-14(11-17(23)21-15)6-7-18(24)22-25/h6-9,11,13,20,25H,10,12H2,1-5H3,(H,22,24)/b7-6+
InChIKeyPIYSBPSZGFDECL-VOTSOKGWSA-N
MW344.46 g/mol
LogP2.94
Rot. Bonds6

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

(E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 25053942) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID25053942
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)Cc1nc2cc(/C=C/C(=O)NO)ccn2c1CNC(C)(C)C
InChIInChI=1S/C19H28N4O2/c1-13(2)10-15-16(12-20-19(3,4)5)23-9-8-14(11-17(23)21-15)6-7-18(24)22-25/h6-9,11,13,20,25H,10,12H2,1-5H3,(H,22,24)/b7-6+
InChIKeyPIYSBPSZGFDECL-VOTSOKGWSA-N
XLogP2.94
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.94
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-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 25053942) is (E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CC(C)Cc1nc2cc(/C=C/C(=O)NO)ccn2c1CNC(C)(C)C.
What is the InChIKey of (E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is PIYSBPSZGFDECL-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)10-15-16(12-20-19(3,4)5)23-9-8-14(11-17(23)21-15)6-7-18(24)22-25/h6-9,11,13,20,25H,10,12H2,1-5H3,(H,22,24)/b7-6+.
What are the key properties of (E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[(tert-butylamino)methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 344.46 g/mol, XLogP of 2.94, 6 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-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 25053942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).