N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide

C15H15N3O3 — CID 138395659

IUPACN-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(CO)c(/C=N/NC(=O)c2ccncc2)c1O
InChIInChI=1S/C15H15N3O3/c1-10-2-3-12(9-19)13(14(10)20)8-17-18-15(21)11-4-6-16-7-5-11/h2-8,19-20H,9H2,1H3,(H,18,21)/b17-8+
InChIKeyVWVDFYVSTZBWMA-CAOOACKPSA-N
MW285.30 g/mol
LogP1.35
Rot. Bonds4

About N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 138395659) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID138395659
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(CO)c(/C=N/NC(=O)c2ccncc2)c1O
InChIInChI=1S/C15H15N3O3/c1-10-2-3-12(9-19)13(14(10)20)8-17-18-15(21)11-4-6-16-7-5-11/h2-8,19-20H,9H2,1H3,(H,18,21)/b17-8+
InChIKeyVWVDFYVSTZBWMA-CAOOACKPSA-N
XLogP1.35
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
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-amino-N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 2642189
4-ethyl-N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 135673771
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[(Z)-propylideneamino]pyridine-4-carboxamide
CID 6119038
N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide
CID 136650800
3-hydroxy-N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 135852735
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 4518563

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide (CID 138395659) is N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide is Cc1ccc(CO)c(/C=N/NC(=O)c2ccncc2)c1O.
What is the InChIKey of N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is VWVDFYVSTZBWMA-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-2-3-12(9-19)13(14(10)20)8-17-18-15(21)11-4-6-16-7-5-11/h2-8,19-20H,9H2,1H3,(H,18,21)/b17-8+.
What are the key properties of N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 138395659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).