N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C18H15N3O3 — CID 135458990

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1=O
InChIInChI=1S/C18H15N3O3/c1-21-11-13(7-9-17(21)23)18(24)20-19-10-15-14-5-3-2-4-12(14)6-8-16(15)22/h2-11,22H,1H3,(H,20,24)/b19-10+
InChIKeyZOLLBPSTQVLDTB-VXLYETTFSA-N
MW321.34 g/mol
LogP2.01
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 135458990) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID135458990
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1=O
InChIInChI=1S/C18H15N3O3/c1-21-11-13(7-9-17(21)23)18(24)20-19-10-15-14-5-3-2-4-12(14)6-8-16(15)22/h2-11,22H,1H3,(H,20,24)/b19-10+
InChIKeyZOLLBPSTQVLDTB-VXLYETTFSA-N
XLogP2.01
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.01
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

N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400301
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide
CID 251900
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745
1-{[(2-Hydroxy-1-naphthyl)methylene]amino}-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 135476859
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 5334049
[(2-Oxonaphthalen-1-ylidene)methylamino]urea
CID 135606556
Acetic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135715601
Acetic acid, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 3348874
6-Hydroxy-nicotinic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135407749
N-ethyl-2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoacetamide
CID 135588554
2-Hydroxy-1-naphthylaldehyde benzoyl hydrazone
CID 99759

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 135458990) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1=O.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is ZOLLBPSTQVLDTB-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-11-13(7-9-17(21)23)18(24)20-19-10-15-14-5-3-2-4-12(14)6-8-16(15)22/h2-11,22H,1H3,(H,20,24)/b19-10+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 135458990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).