3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide

C14H13N3O4 — CID 3490793

IUPAC3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide
SMILESC=C(NNC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1
InChIInChI=1S/C14H13N3O4/c1-8(9-3-2-4-15-7-9)16-17-14(21)10-5-11(18)13(20)12(19)6-10/h2-7,16,18-20H,1H2,(H,17,21)
InChIKeyVJDMQBUVHWIRJH-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.10
Rot. Bonds4

About 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide

3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide (PubChem CID 3490793) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide
PubChem CID3490793
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide
SMILESC=C(NNC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1
InChIInChI=1S/C14H13N3O4/c1-8(9-3-2-4-15-7-9)16-17-14(21)10-5-11(18)13(20)12(19)6-10/h2-7,16,18-20H,1H2,(H,17,21)
InChIKeyVJDMQBUVHWIRJH-UHFFFAOYSA-N
XLogP1.10
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
(1-pyridin-3-ylethenylamino)thiourea
CID 4661385
tert-butyl N-(1-pyridin-3-ylethenylamino)carbamate
CID 2589873
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
CID 39966213
N'-(2-hydroxynaphthalene-1-carbonyl)pyridine-3-carbohydrazide
CID 153395646
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
CID 39716932
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
CID 23300028
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide?
The IUPAC name of 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide (CID 3490793) is 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide?
The canonical SMILES for 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide is C=C(NNC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1.
What is the InChIKey of 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide?
The InChIKey is VJDMQBUVHWIRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8(9-3-2-4-15-7-9)16-17-14(21)10-5-11(18)13(20)12(19)6-10/h2-7,16,18-20H,1H2,(H,17,21).
What are the key properties of 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide?
3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide has a molecular weight of 287.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide is sourced from PubChem (CID 3490793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).