ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid

C22H23N3O3 — CID 143178920

IUPACethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid
SMILESCC.COc1ccccc1/C=N/Nc1ccc(-c2cccc(C(=O)O)c2)cn1
InChIInChI=1S/C20H17N3O3.C2H6/c1-26-18-8-3-2-5-17(18)13-22-23-19-10-9-16(12-21-19)14-6-4-7-15(11-14)20(24)25;1-2/h2-13H,1H3,(H,21,23)(H,24,25);1-2H3/b22-13+;
InChIKeyPEDBOCGUAJUDTO-PNAHYYPNSA-N
MW377.44 g/mol
LogP4.93
Rot. Bonds6

About ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid

ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid (PubChem CID 143178920) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Nameethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid
PubChem CID143178920
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid
SMILESCC.COc1ccccc1/C=N/Nc1ccc(-c2cccc(C(=O)O)c2)cn1
InChIInChI=1S/C20H17N3O3.C2H6/c1-26-18-8-3-2-5-17(18)13-22-23-19-10-9-16(12-21-19)14-6-4-7-15(11-14)20(24)25;1-2/h2-13H,1H3,(H,21,23)(H,24,25);1-2H3/b22-13+;
InChIKeyPEDBOCGUAJUDTO-PNAHYYPNSA-N
XLogP4.93
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
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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Related Compounds

[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 143178939
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
3-(2-methoxyphenyl)benzoic acid
CID 2759547
6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505721
5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 53223177
2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 50998562
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510

Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid?
The IUPAC name of ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid (CID 143178920) is ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid.
What is the SMILES notation for ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid?
The canonical SMILES for ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid is CC.COc1ccccc1/C=N/Nc1ccc(-c2cccc(C(=O)O)c2)cn1.
What is the InChIKey of ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid?
The InChIKey is PEDBOCGUAJUDTO-PNAHYYPNSA-N. The full InChI is InChI=1S/C20H17N3O3.C2H6/c1-26-18-8-3-2-5-17(18)13-22-23-19-10-9-16(12-21-19)14-6-4-7-15(11-14)20(24)25;1-2/h2-13H,1H3,(H,21,23)(H,24,25);1-2H3/b22-13+;.
What are the key properties of ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid?
ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid has a molecular weight of 377.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 143178920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).