N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide

C17H13N3O2 — CID 135504405

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C17H13N3O2/c21-16-9-8-12-5-1-2-6-13(12)14(16)11-19-20-17(22)15-7-3-4-10-18-15/h1-11,21H,(H,20,22)/b19-11+
InChIKeyCLYCWYSUBBNCIC-YBFXNURJSA-N
MW291.31 g/mol
LogP2.70
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 135504405) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID135504405
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C17H13N3O2/c21-16-9-8-12-5-1-2-6-13(12)14(16)11-19-20-17(22)15-7-3-4-10-18-15/h1-11,21H,(H,20,22)/b19-11+
InChIKeyCLYCWYSUBBNCIC-YBFXNURJSA-N
XLogP2.70
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804376
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725191
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 136914799
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135781772
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 5030121
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide (CID 135504405) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is CLYCWYSUBBNCIC-YBFXNURJSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-9-8-12-5-1-2-6-13(12)14(16)11-19-20-17(22)15-7-3-4-10-18-15/h1-11,21H,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135504405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).