(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C22H26N4O2 — CID 143296646

IUPAC(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCNCc1c(-c2ccc(C)cc2)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C22H26N4O2/c1-3-4-12-23-15-19-22(18-8-5-16(2)6-9-18)24-20-14-17(11-13-26(19)20)7-10-21(27)25-28/h5-11,13-14,23,28H,3-4,12,15H2,1-2H3,(H,25,27)/b10-7+
InChIKeyOVDJKEIECMYHCO-JXMROGBWSA-N
MW378.48 g/mol
LogP3.72
Rot. Bonds8

About (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 143296646) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID143296646
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCNCc1c(-c2ccc(C)cc2)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C22H26N4O2/c1-3-4-12-23-15-19-22(18-8-5-16(2)6-9-18)24-20-14-17(11-13-26(19)20)7-10-21(27)25-28/h5-11,13-14,23,28H,3-4,12,15H2,1-2H3,(H,25,27)/b10-7+
InChIKeyOVDJKEIECMYHCO-JXMROGBWSA-N
XLogP3.72
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.72
H-Bond Donors ≤ 53
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

(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 11951106
3-[2-tert-butyl-3-[[2-(diethylamino)ethylamino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151454
N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 73151485
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-[(tert-butylamino)methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25054219
3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74371496
(E)-3-[2-tert-butyl-3-[[ethyl(pentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951204
(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11951456
(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-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74422918
(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11951459

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 143296646) is (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCNCc1c(-c2ccc(C)cc2)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is OVDJKEIECMYHCO-JXMROGBWSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-4-12-23-15-19-22(18-8-5-16(2)6-9-18)24-20-14-17(11-13-26(19)20)7-10-21(27)25-28/h5-11,13-14,23,28H,3-4,12,15H2,1-2H3,(H,25,27)/b10-7+.
What are the key properties of (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 378.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 143296646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).