N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide

C14H13N3O3 — CID 135408621

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(O)cc1O
InChIInChI=1S/C14H13N3O3/c1-9(12-3-2-11(18)8-13(12)19)16-17-14(20)10-4-6-15-7-5-10/h2-8,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyFLYFTBZHRIAXCH-CXUHLZMHSA-N
MW271.28 g/mol
LogP1.65
Rot. Bonds3

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 135408621) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
PubChem CID135408621
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(O)cc1O
InChIInChI=1S/C14H13N3O3/c1-9(12-3-2-11(18)8-13(12)19)16-17-14(20)10-4-6-15-7-5-10/h2-8,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyFLYFTBZHRIAXCH-CXUHLZMHSA-N
XLogP1.65
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Salinazid
CID 135400471
(e)-n'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide
CID 135400486
Isonicotinic acid (2,4-dihydroxy-benzylidene)-hydrazide
CID 135400282
N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
Flavoteben
CID 135400468
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 9571166
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone
CID 135408575
N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
CID 4491
Nicotinamide, N-(2,4-dihydroxybenzylidenehydrazinocarbonylmethyl)-
CID 135635735
4-hydroxy-N'-[(E)-pyridin-3-ylmethylidene]benzohydrazide
CID 6862721

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide (CID 135408621) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is FLYFTBZHRIAXCH-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9(12-3-2-11(18)8-13(12)19)16-17-14(20)10-4-6-15-7-5-10/h2-8,18-19H,1H3,(H,17,20)/b16-9+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135408621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).