N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide

C20H17N3O3 — CID 135992490

IUPACN-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide
SMILESCOc1ccc(C(=NNC(=O)c2ccncc2)c2ccccc2)c(O)c1
InChIInChI=1S/C20H17N3O3/c1-26-16-7-8-17(18(24)13-16)19(14-5-3-2-4-6-14)22-23-20(25)15-9-11-21-12-10-15/h2-13,24H,1H3,(H,23,25)
InChIKeyUGOWPEIJUYMOMO-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.98
Rot. Bonds5

About N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide

N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide (PubChem CID 135992490) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide
PubChem CID135992490
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide
SMILESCOc1ccc(C(=NNC(=O)c2ccncc2)c2ccccc2)c(O)c1
InChIInChI=1S/C20H17N3O3/c1-26-16-7-8-17(18(24)13-16)19(14-5-3-2-4-6-14)22-23-20(25)15-9-11-21-12-10-15/h2-13,24H,1H3,(H,23,25)
InChIKeyUGOWPEIJUYMOMO-UHFFFAOYSA-N
XLogP2.98
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
Isonicotinic acid (2,4-dihydroxy-benzylidene)-hydrazide
CID 135400282
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 9571166
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 6321940
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
Nsc51353
CID 242591
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
4-ethoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411787
(E)-N'-(2,4-dihydroxybenzylidene)nicotinohydrazide
CID 135488764
1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone
CID 49869549

Frequently Asked Questions

What is the IUPAC name of N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide (CID 135992490) is N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide is COc1ccc(C(=NNC(=O)c2ccncc2)c2ccccc2)c(O)c1.
What is the InChIKey of N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide?
The InChIKey is UGOWPEIJUYMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-16-7-8-17(18(24)13-16)19(14-5-3-2-4-6-14)22-23-20(25)15-9-11-21-12-10-15/h2-13,24H,1H3,(H,23,25).
What are the key properties of N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide?
N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 135992490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).