(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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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).