N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide

C17H18N4O2 — CID 6906007

IUPACN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccncc1
InChIInChI=1S/C17H18N4O2/c22-17(15-5-7-18-8-6-15)20-19-13-14-1-3-16(4-2-14)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)/b19-13+
InChIKeyLWGFBWMAJBIBAJ-CPNJWEJPSA-N
MW310.36 g/mol
LogP1.68
Rot. Bonds4

About N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6906007) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6906007
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccncc1
InChIInChI=1S/C17H18N4O2/c22-17(15-5-7-18-8-6-15)20-19-13-14-1-3-16(4-2-14)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)/b19-13+
InChIKeyLWGFBWMAJBIBAJ-CPNJWEJPSA-N
XLogP1.68
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide (CID 6906007) is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccncc1.
What is the InChIKey of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is LWGFBWMAJBIBAJ-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(15-5-7-18-8-6-15)20-19-13-14-1-3-16(4-2-14)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)/b19-13+.
What are the key properties of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6906007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).