3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide

C15H15N3O — CID 6138310

IUPAC3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
SMILESO=C(CCc1ccccc1)N/N=C\c1ccccn1
InChIInChI=1S/C15H15N3O/c19-15(10-9-13-6-2-1-3-7-13)18-17-12-14-8-4-5-11-16-14/h1-8,11-12H,9-10H2,(H,18,19)/b17-12-
InChIKeyQHLYNXNSZLWZSQ-ATVHPVEESA-N
MW253.31 g/mol
LogP2.16
Rot. Bonds5

About 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide

3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide (PubChem CID 6138310) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
PubChem CID6138310
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
SMILESO=C(CCc1ccccc1)N/N=C\c1ccccn1
InChIInChI=1S/C15H15N3O/c19-15(10-9-13-6-2-1-3-7-13)18-17-12-14-8-4-5-11-16-14/h1-8,11-12H,9-10H2,(H,18,19)/b17-12-
InChIKeyQHLYNXNSZLWZSQ-ATVHPVEESA-N
XLogP2.16
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.16
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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Related Compounds

N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 9359665
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethylideneamino)propanamide
CID 958832
3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 126151317
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 5144752
3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 123310795
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The IUPAC name of 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide (CID 6138310) is 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The canonical SMILES for 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide is O=C(CCc1ccccc1)N/N=C\c1ccccn1.
What is the InChIKey of 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The InChIKey is QHLYNXNSZLWZSQ-ATVHPVEESA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(10-9-13-6-2-1-3-7-13)18-17-12-14-8-4-5-11-16-14/h1-8,11-12H,9-10H2,(H,18,19)/b17-12-.
What are the key properties of 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide has a molecular weight of 253.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 6138310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).