N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide

C20H17N3O2 — CID 6893810

IUPACN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccnc1
InChIInChI=1S/C20H17N3O2/c24-20(18-9-5-11-21-14-18)23-22-13-17-8-4-10-19(12-17)25-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,23,24)/b22-13+
InChIKeyWORULNZCGGKIIA-LPYMAVHISA-N
MW331.38 g/mol
LogP3.42
Rot. Bonds6

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

N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6893810) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6893810
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccnc1
InChIInChI=1S/C20H17N3O2/c24-20(18-9-5-11-21-14-18)23-22-13-17-8-4-10-19(12-17)25-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,23,24)/b22-13+
InChIKeyWORULNZCGGKIIA-LPYMAVHISA-N
XLogP3.42
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.42
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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Related Compounds

4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
methyl 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 5426337
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 6893810) is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccnc1.
What is the InChIKey of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is WORULNZCGGKIIA-LPYMAVHISA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(18-9-5-11-21-14-18)23-22-13-17-8-4-10-19(12-17)25-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6893810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).