N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide

C15H15N3O3 — CID 135470931

IUPACN-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1cc(O)c(C)c(O)c1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C15H15N3O3/c1-9-6-13(19)10(2)14(20)12(9)8-17-18-15(21)11-4-3-5-16-7-11/h3-8,19-20H,1-2H3,(H,18,21)/b17-8+
InChIKeyNHIOHMWVZSOJJB-CAOOACKPSA-N
MW285.30 g/mol
LogP1.87
Rot. Bonds3

About N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135470931) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135470931
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1cc(O)c(C)c(O)c1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C15H15N3O3/c1-9-6-13(19)10(2)14(20)12(9)8-17-18-15(21)11-4-3-5-16-7-11/h3-8,19-20H,1-2H3,(H,18,21)/b17-8+
InChIKeyNHIOHMWVZSOJJB-CAOOACKPSA-N
XLogP1.87
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide (CID 135470931) is N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide is Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)c1cccnc1.
What is the InChIKey of N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is NHIOHMWVZSOJJB-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-6-13(19)10(2)14(20)12(9)8-17-18-15(21)11-4-3-5-16-7-11/h3-8,19-20H,1-2H3,(H,18,21)/b17-8+.
What are the key properties of N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135470931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).