3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C22H34N4O2 — CID 74421942

IUPAC3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCC(C)C)Cc1c(CC(C)C)nc2cc(C=CC(=O)NO)ccn12
InChIInChI=1S/C22H34N4O2/c1-6-25(11-9-16(2)3)15-20-19(13-17(4)5)23-21-14-18(10-12-26(20)21)7-8-22(27)24-28/h7-8,10,12,14,16-17,28H,6,9,11,13,15H2,1-5H3,(H,24,27)
InChIKeyBOADFFSBJKXUSI-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.92
Rot. Bonds10

About 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 74421942) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID74421942
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCC(C)C)Cc1c(CC(C)C)nc2cc(C=CC(=O)NO)ccn12
InChIInChI=1S/C22H34N4O2/c1-6-25(11-9-16(2)3)15-20-19(13-17(4)5)23-21-14-18(10-12-26(20)21)7-8-22(27)24-28/h7-8,10,12,14,16-17,28H,6,9,11,13,15H2,1-5H3,(H,24,27)
InChIKeyBOADFFSBJKXUSI-UHFFFAOYSA-N
XLogP3.92
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.92
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 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 74421942) is 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCN(CCC(C)C)Cc1c(CC(C)C)nc2cc(C=CC(=O)NO)ccn12.
What is the InChIKey of 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is BOADFFSBJKXUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-6-25(11-9-16(2)3)15-20-19(13-17(4)5)23-21-14-18(10-12-26(20)21)7-8-22(27)24-28/h7-8,10,12,14,16-17,28H,6,9,11,13,15H2,1-5H3,(H,24,27).
What are the key properties of 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 386.54 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74421942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).