6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H15ClN4O3 — CID 135592728

IUPAC6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)c1O
InChIInChI=1S/C17H15ClN4O3/c1-10-15(22-9-12(18)6-7-14(22)20-10)17(24)21-19-8-11-4-3-5-13(25-2)16(11)23/h3-9,23H,1-2H3,(H,21,24)/b19-8+
InChIKeyMTGFVRLOUBGPDL-UFWORHAWSA-N
MW358.79 g/mol
LogP2.77
Rot. Bonds4

About 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135592728) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID135592728
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)c1O
InChIInChI=1S/C17H15ClN4O3/c1-10-15(22-9-12(18)6-7-14(22)20-10)17(24)21-19-8-11-4-3-5-13(25-2)16(11)23/h3-9,23H,1-2H3,(H,21,24)/b19-8+
InChIKeyMTGFVRLOUBGPDL-UFWORHAWSA-N
XLogP2.77
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 135592728) is 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)c1O.
What is the InChIKey of 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MTGFVRLOUBGPDL-UFWORHAWSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-10-15(22-9-12(18)6-7-14(22)20-10)17(24)21-19-8-11-4-3-5-13(25-2)16(11)23/h3-9,23H,1-2H3,(H,21,24)/b19-8+.
What are the key properties of 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135592728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).