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

C21H32N4O2 — CID 24950892

IUPAC(E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CN(CC)CCCC
InChIInChI=1S/C21H32N4O2/c1-4-7-9-18-19(16-24(6-3)13-8-5-2)25-14-12-17(15-20(25)22-18)10-11-21(26)23-27/h10-12,14-15,27H,4-9,13,16H2,1-3H3,(H,23,26)/b11-10+
InChIKeyYIPFUXZLQYMKCV-ZHACJKMWSA-N
MW372.51 g/mol
LogP3.82
Rot. Bonds11

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

(E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 24950892) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID24950892
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CN(CC)CCCC
InChIInChI=1S/C21H32N4O2/c1-4-7-9-18-19(16-24(6-3)13-8-5-2)25-14-12-17(15-20(25)22-18)10-11-21(26)23-27/h10-12,14-15,27H,4-9,13,16H2,1-3H3,(H,23,26)/b11-10+
InChIKeyYIPFUXZLQYMKCV-ZHACJKMWSA-N
XLogP3.82
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.82
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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Related Compounds

Olprinone
CID 4593
Pracinostat
CID 49855250
Olprinone hydrochloride
CID 115227
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18b
CID 5329352
Imidazopyridine 18d
CID 5329354
(E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24759773
(E)-3-[2-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24950887
(E)-3-[2-tert-butyl-3-[[2,2-dimethylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951209
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740696
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 163722002
Exemplary Synthetic Procedure #22
CID 163991946

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 24950892) is (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CN(CC)CCCC.
What is the InChIKey of (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is YIPFUXZLQYMKCV-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-7-9-18-19(16-24(6-3)13-8-5-2)25-14-12-17(15-20(25)22-18)10-11-21(26)23-27/h10-12,14-15,27H,4-9,13,16H2,1-3H3,(H,23,26)/b11-10+.
What are the key properties of (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 372.51 g/mol, XLogP of 3.82, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-butyl-3-[[butyl(ethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24950892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).