N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide

C17H13N3O — CID 6862673

IUPACN-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C17H13N3O/c21-17(15-8-4-10-18-11-15)20-19-12-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,20,21)/b19-12+
InChIKeyIAYHTOVGJJEMHL-XDHOZWIPSA-N
MW275.31 g/mol
LogP3.00
Rot. Bonds3

About N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide

N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 6862673) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID6862673
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C17H13N3O/c21-17(15-8-4-10-18-11-15)20-19-12-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,20,21)/b19-12+
InChIKeyIAYHTOVGJJEMHL-XDHOZWIPSA-N
XLogP3.00
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide (CID 6862673) is N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1cccc2ccccc12)c1cccnc1.
What is the InChIKey of N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is IAYHTOVGJJEMHL-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17(15-8-4-10-18-11-15)20-19-12-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide?
N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6862673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).