N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide

C17H13N3O3 — CID 135407749

IUPACN-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H13N3O3/c21-15-7-5-11(13-3-1-2-4-14(13)15)10-19-20-17(23)12-6-8-16(22)18-9-12/h1-10,21H,(H,18,22)(H,20,23)/b19-10+
InChIKeyCABLPDYMBWXPSW-VXLYETTFSA-N
MW307.31 g/mol
LogP2.00
Rot. Bonds3

About N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide

N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 135407749) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID135407749
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H13N3O3/c21-15-7-5-11(13-3-1-2-4-14(13)15)10-19-20-17(23)12-6-8-16(22)18-9-12/h1-10,21H,(H,18,22)(H,20,23)/b19-10+
InChIKeyCABLPDYMBWXPSW-VXLYETTFSA-N
XLogP2.00
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

6-keto-N''-[(Z)-(2-keto-1-naphthylidene)methyl]-1-methyl-nicotinohydrazide
CID 135458990
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide
CID 251900
1-{[(2-Hydroxy-1-naphthyl)methylene]amino}-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 135476859
Acetic acid, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 3348874
N-ethyl-2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoacetamide
CID 135588554
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
CID 135509648
N'-((2-Hydroxy-1-naphthyl)methylene)cyclohexanecarbohydrazide
CID 135533780
Acetic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135715601
[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422187
[2-[(2E)-2-[(2-hydroxy-1-naphthyl)methylene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium
CID 135488964
(e)-2-cyano-N'-((2-hydroxynaphthalen-1-yl)methylene)acetohydrazide
CID 135885629

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide (CID 135407749) is N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide is O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CABLPDYMBWXPSW-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-15-7-5-11(13-3-1-2-4-14(13)15)10-19-20-17(23)12-6-8-16(22)18-9-12/h1-10,21H,(H,18,22)(H,20,23)/b19-10+.
What are the key properties of N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide?
N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 135407749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).