(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C22H34N4O2 — CID 24951204

IUPAC(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCCN(CC)Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C22H34N4O2/c1-6-8-9-13-25(7-2)16-18-21(22(3,4)5)23-19-15-17(12-14-26(18)19)10-11-20(27)24-28/h10-12,14-15,28H,6-9,13,16H2,1-5H3,(H,24,27)/b11-10+
InChIKeySKDZTSAUZMRMOV-ZHACJKMWSA-N
MW386.54 g/mol
LogP4.16
Rot. Bonds9

About (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 24951204) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID24951204
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCCN(CC)Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C22H34N4O2/c1-6-8-9-13-25(7-2)16-18-21(22(3,4)5)23-19-15-17(12-14-26(18)19)10-11-20(27)24-28/h10-12,14-15,28H,6-9,13,16H2,1-5H3,(H,24,27)/b11-10+
InChIKeySKDZTSAUZMRMOV-ZHACJKMWSA-N
XLogP4.16
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.16
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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Related Compounds

3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74424772
(E)-3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25063459
(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25053940
3-[2-tert-butyl-3-[[2-(diethylamino)ethylamino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151454
3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74371730
3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74371496
3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-propylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74423009
3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74421942
3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74422918
N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 73151485
(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 11951106
N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 73151363

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 24951204) is (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCCN(CC)Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is SKDZTSAUZMRMOV-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-6-8-9-13-25(7-2)16-18-21(22(3,4)5)23-19-15-17(12-14-26(18)19)10-11-20(27)24-28/h10-12,14-15,28H,6-9,13,16H2,1-5H3,(H,24,27)/b11-10+.
What are the key properties of (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 386.54 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24951204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).