3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide

C15H14N6O — CID 742331

IUPAC3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide
SMILESO=C(CCn1nnc2ccccc21)NN=Cc1cccnc1
InChIInChI=1S/C15H14N6O/c22-15(19-17-11-12-4-3-8-16-10-12)7-9-21-14-6-2-1-5-13(14)18-20-21/h1-6,8,10-11H,7,9H2,(H,19,22)
InChIKeyQKOYCWXEFXPBLK-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.37
Rot. Bonds5

About 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide

3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide (PubChem CID 742331) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide
PubChem CID742331
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide
SMILESO=C(CCn1nnc2ccccc21)NN=Cc1cccnc1
InChIInChI=1S/C15H14N6O/c22-15(19-17-11-12-4-3-8-16-10-12)7-9-21-14-6-2-1-5-13(14)18-20-21/h1-6,8,10-11H,7,9H2,(H,19,22)
InChIKeyQKOYCWXEFXPBLK-UHFFFAOYSA-N
XLogP1.37
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(benzotriazol-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136721169
3-(benzotriazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5424028
3-(benzotriazol-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5424041
3-(benzotriazol-1-yl)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 742345
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(benzotriazol-1-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 4004517
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135517146
3-(benzotriazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135635859
3-(benzotriazol-1-yl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]propanamide
CID 136757604
3-(benzotriazol-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]propanamide
CID 5423366
3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide
CID 742329

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide (CID 742331) is 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide is O=C(CCn1nnc2ccccc21)NN=Cc1cccnc1.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide?
The InChIKey is QKOYCWXEFXPBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c22-15(19-17-11-12-4-3-8-16-10-12)7-9-21-14-6-2-1-5-13(14)18-20-21/h1-6,8,10-11H,7,9H2,(H,19,22).
What are the key properties of 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide?
3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide has a molecular weight of 294.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide is sourced from PubChem (CID 742331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).