(E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide

C18H26N4O3 — CID 11950377

IUPAC(E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
SMILESCOCCNc1c(CC(C)(C)C)nc2ccc(/C=C/C(=O)NO)cn12
InChIInChI=1S/C18H26N4O3/c1-18(2,3)11-14-17(19-9-10-25-4)22-12-13(5-7-15(22)20-14)6-8-16(23)21-24/h5-8,12,19,24H,9-11H2,1-4H3,(H,21,23)/b8-6+
InChIKeyUGRWKQBWMIKPKM-SOFGYWHQSA-N
MW346.43 g/mol
LogP2.50
Rot. Bonds7

About (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide (PubChem CID 11950377) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
PubChem CID11950377
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
SMILESCOCCNc1c(CC(C)(C)C)nc2ccc(/C=C/C(=O)NO)cn12
InChIInChI=1S/C18H26N4O3/c1-18(2,3)11-14-17(19-9-10-25-4)22-12-13(5-7-15(22)20-14)6-8-16(23)21-24/h5-8,12,19,24H,9-11H2,1-4H3,(H,21,23)/b8-6+
InChIKeyUGRWKQBWMIKPKM-SOFGYWHQSA-N
XLogP2.50
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide (CID 11950377) is (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide is COCCNc1c(CC(C)(C)C)nc2ccc(/C=C/C(=O)NO)cn12.
What is the InChIKey of (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The InChIKey is UGRWKQBWMIKPKM-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,3)11-14-17(19-9-10-25-4)22-12-13(5-7-15(22)20-14)6-8-16(23)21-24/h5-8,12,19,24H,9-11H2,1-4H3,(H,21,23)/b8-6+.
What are the key properties of (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2,2-dimethylpropyl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11950377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).