N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide

C20H15N3O4 — CID 153406591

IUPACN-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(-c2ccc3c(c2)OCO3)n1)c1ccc(O)cc1
InChIInChI=1S/C20H15N3O4/c24-16-7-4-13(5-8-16)20(25)23-21-11-15-2-1-3-17(22-15)14-6-9-18-19(10-14)27-12-26-18/h1-11,24H,12H2,(H,23,25)/b21-11+
InChIKeyALAZXLXELCSQCF-SRZZPIQSSA-N
MW361.36 g/mol
LogP2.95
Rot. Bonds4

About N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 153406591) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide
PubChem CID153406591
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(-c2ccc3c(c2)OCO3)n1)c1ccc(O)cc1
InChIInChI=1S/C20H15N3O4/c24-16-7-4-13(5-8-16)20(25)23-21-11-15-2-1-3-17(22-15)14-6-9-18-19(10-14)27-12-26-18/h1-11,24H,12H2,(H,23,25)/b21-11+
InChIKeyALAZXLXELCSQCF-SRZZPIQSSA-N
XLogP2.95
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2693777
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7303308
4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 139203008
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
3-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 829528
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(E)-(4-tert-butylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6902013

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide (CID 153406591) is N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1cccc(-c2ccc3c(c2)OCO3)n1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is ALAZXLXELCSQCF-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-16-7-4-13(5-8-16)20(25)23-21-11-15-2-1-3-17(22-15)14-6-9-18-19(10-14)27-12-26-18/h1-11,24H,12H2,(H,23,25)/b21-11+.
What are the key properties of N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 361.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 153406591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).