N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C14H13N3O3 — CID 5334049

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2cccc(O)c2)ccc1=O
InChIInChI=1S/C14H13N3O3/c1-17-9-11(5-6-13(17)19)14(20)16-15-8-10-3-2-4-12(18)7-10/h2-9,18H,1H3,(H,16,20)/b15-8+
InChIKeyDCEBPUNKMQLAHP-OVCLIPMQSA-N
MW271.28 g/mol
LogP0.85
Rot. Bonds3

About N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 5334049) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID5334049
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2cccc(O)c2)ccc1=O
InChIInChI=1S/C14H13N3O3/c1-17-9-11(5-6-13(17)19)14(20)16-15-8-10-3-2-4-12(18)7-10/h2-9,18H,1H3,(H,16,20)/b15-8+
InChIKeyDCEBPUNKMQLAHP-OVCLIPMQSA-N
XLogP0.85
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 5334049) is N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N/N=C/c2cccc(O)c2)ccc1=O.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is DCEBPUNKMQLAHP-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-9-11(5-6-13(17)19)14(20)16-15-8-10-3-2-4-12(18)7-10/h2-9,18H,1H3,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 5334049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).