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

C20H30N4O2 — CID 24759773

IUPAC(E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCC(CC)CN(CC)Cc1c(C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C20H30N4O2/c1-5-16(6-2)13-23(7-3)14-18-15(4)21-19-12-17(10-11-24(18)19)8-9-20(25)22-26/h8-12,16,26H,5-7,13-14H2,1-4H3,(H,22,25)/b9-8+
InChIKeyKCMZJLZWWJVOEP-CMDGGOBGSA-N
MW358.49 g/mol
LogP3.42
Rot. Bonds9

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

(E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 24759773) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID24759773
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCC(CC)CN(CC)Cc1c(C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C20H30N4O2/c1-5-16(6-2)13-23(7-3)14-18-15(4)21-19-12-17(10-11-24(18)19)8-9-20(25)22-26/h8-12,16,26H,5-7,13-14H2,1-4H3,(H,22,25)/b9-8+
InChIKeyKCMZJLZWWJVOEP-CMDGGOBGSA-N
XLogP3.42
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.42
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

CID 4593
CID 4593
CID 115227
CID 115227
CID 5329351
CID 5329351
CID 5329354
CID 5329354
CID 89740936
CID 89740936
CID 24950887
CID 24950887
CID 24950892
CID 24950892
CID 24951209
CID 24951209
CID 89740696
CID 89740696
CID 856436
CID 856436
CID 5329353
CID 5329353
CID 145972577
CID 145972577

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 24759773) is (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCC(CC)CN(CC)Cc1c(C)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is KCMZJLZWWJVOEP-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-5-16(6-2)13-23(7-3)14-18-15(4)21-19-12-17(10-11-24(18)19)8-9-20(25)22-26/h8-12,16,26H,5-7,13-14H2,1-4H3,(H,22,25)/b9-8+.
What are the key properties of (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 358.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[[ethyl(2-ethylbutyl)amino]methyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24759773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).