2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid

C17H17N3O4 — CID 4129362

IUPAC2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
SMILESCC(C)Oc1ccc(C(=NNC(=O)c2ccncc2)C(=O)O)cc1
InChIInChI=1S/C17H17N3O4/c1-11(2)24-14-5-3-12(4-6-14)15(17(22)23)19-20-16(21)13-7-9-18-10-8-13/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyJZWYXENRCOACBU-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.09
Rot. Bonds6

About 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid

2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid (PubChem CID 4129362) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
PubChem CID4129362
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
SMILESCC(C)Oc1ccc(C(=NNC(=O)c2ccncc2)C(=O)O)cc1
InChIInChI=1S/C17H17N3O4/c1-11(2)24-14-5-3-12(4-6-14)15(17(22)23)19-20-16(21)13-7-9-18-10-8-13/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyJZWYXENRCOACBU-UHFFFAOYSA-N
XLogP2.09
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.09
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

2-(4-butoxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
CID 4613458
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid (CID 4129362) is 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid is CC(C)Oc1ccc(C(=NNC(=O)c2ccncc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid?
The InChIKey is JZWYXENRCOACBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(2)24-14-5-3-12(4-6-14)15(17(22)23)19-20-16(21)13-7-9-18-10-8-13/h3-11H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid?
2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid has a molecular weight of 327.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid is sourced from PubChem (CID 4129362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).