3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide

C18H18N4O3 — CID 71451777

IUPAC3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2c(C)nc3ccccn23)cc1OC
InChIInChI=1S/C18H18N4O3/c1-12-14(22-9-5-4-6-17(22)20-12)11-19-21-18(23)13-7-8-15(24-2)16(10-13)25-3/h4-11H,1-3H3,(H,21,23)/b19-11+
InChIKeyMWVMUSOFHCHRJR-YBFXNURJSA-N
MW338.37 g/mol
LogP2.42
Rot. Bonds5

About 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide

3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide (PubChem CID 71451777) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide
PubChem CID71451777
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2c(C)nc3ccccn23)cc1OC
InChIInChI=1S/C18H18N4O3/c1-12-14(22-9-5-4-6-17(22)20-12)11-19-21-18(23)13-7-8-15(24-2)16(10-13)25-3/h4-11H,1-3H3,(H,21,23)/b19-11+
InChIKeyMWVMUSOFHCHRJR-YBFXNURJSA-N
XLogP2.42
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide (CID 71451777) is 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C/c2c(C)nc3ccccn23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide?
The InChIKey is MWVMUSOFHCHRJR-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-14(22-9-5-4-6-17(22)20-12)11-19-21-18(23)13-7-8-15(24-2)16(10-13)25-3/h4-11H,1-3H3,(H,21,23)/b19-11+.
What are the key properties of 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide?
3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide has a molecular weight of 338.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 71451777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).