N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C19H20N4O2 — CID 5335000

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)cc1
InChIInChI=1S/C19H20N4O2/c1-4-25-16-7-5-15(6-8-16)12-20-22-19(24)18-14(3)21-17-11-13(2)9-10-23(17)18/h5-12H,4H2,1-3H3,(H,22,24)/b20-12-
InChIKeyHTBPCKRRQMXMNX-NDENLUEZSA-N
MW336.40 g/mol
LogP3.11
Rot. Bonds5

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 5335000) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID5335000
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)cc1
InChIInChI=1S/C19H20N4O2/c1-4-25-16-7-5-15(6-8-16)12-20-22-19(24)18-14(3)21-17-11-13(2)9-10-23(17)18/h5-12H,4H2,1-3H3,(H,22,24)/b20-12-
InChIKeyHTBPCKRRQMXMNX-NDENLUEZSA-N
XLogP3.11
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 5335000) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is CCOc1ccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HTBPCKRRQMXMNX-NDENLUEZSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-25-16-7-5-15(6-8-16)12-20-22-19(24)18-14(3)21-17-11-13(2)9-10-23(17)18/h5-12H,4H2,1-3H3,(H,22,24)/b20-12-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 5335000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).