N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide

C19H15N3O2 — CID 5333663

IUPACN-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C19H15N3O2/c23-19(16-9-11-20-12-10-16)22-21-14-15-5-4-8-18(13-15)24-17-6-2-1-3-7-17/h1-14H,(H,22,23)/b21-14+
InChIKeyNEDUWEMEHLKZIP-KGENOOAVSA-N
MW317.35 g/mol
LogP3.64
Rot. Bonds5

About N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 5333663) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID5333663
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C19H15N3O2/c23-19(16-9-11-20-12-10-16)22-21-14-15-5-4-8-18(13-15)24-17-6-2-1-3-7-17/h1-14H,(H,22,23)/b21-14+
InChIKeyNEDUWEMEHLKZIP-KGENOOAVSA-N
XLogP3.64
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 5333663) is N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccncc1.
What is the InChIKey of N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is NEDUWEMEHLKZIP-KGENOOAVSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19(16-9-11-20-12-10-16)22-21-14-15-5-4-8-18(13-15)24-17-6-2-1-3-7-17/h1-14H,(H,22,23)/b21-14+.
What are the key properties of N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5333663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).