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

C17H14N4O — CID 137082071

IUPACN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide
SMILESN/C(=N\N=C\c1c(O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C17H14N4O/c18-17(15-7-3-4-10-19-15)21-20-11-14-13-6-2-1-5-12(13)8-9-16(14)22/h1-11,22H,(H2,18,21)/b20-11+
InChIKeyWPFCWRAVRSAGRA-RGVLZGJSSA-N
MW290.33 g/mol
LogP2.68
Rot. Bonds3

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

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide (PubChem CID 137082071) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide
PubChem CID137082071
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide
SMILESN/C(=N\N=C\c1c(O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C17H14N4O/c18-17(15-7-3-4-10-19-15)21-20-11-14-13-6-2-1-5-12(13)8-9-16(14)22/h1-11,22H,(H2,18,21)/b20-11+
InChIKeyWPFCWRAVRSAGRA-RGVLZGJSSA-N
XLogP2.68
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.68
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': 'imine_2', '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)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
The IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide (CID 137082071) is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide is N/C(=N\N=C\c1c(O)ccc2ccccc12)c1ccccn1.
What is the InChIKey of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
The InChIKey is WPFCWRAVRSAGRA-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H14N4O/c18-17(15-7-3-4-10-19-15)21-20-11-14-13-6-2-1-5-12(13)8-9-16(14)22/h1-11,22H,(H2,18,21)/b20-11+.
What are the key properties of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide has a molecular weight of 290.33 g/mol, XLogP of 2.68, 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-carboximidamide is sourced from PubChem (CID 137082071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).