N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide

C17H18N6O2 — CID 6874692

IUPACN,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1ccccn1)N/N=C/c1ccccn1
InChIInChI=1S/C17H18N6O2/c24-16(22-20-12-14-6-1-3-10-18-14)8-5-9-17(25)23-21-13-15-7-2-4-11-19-15/h1-4,6-7,10-13H,5,8-9H2,(H,22,24)(H,23,25)/b20-12+,21-13+
InChIKeyFLWQNBAFWTXYIC-ZIOPAAQOSA-N
MW338.37 g/mol
LogP1.25
Rot. Bonds8

About N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide

N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide (PubChem CID 6874692) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
PubChem CID6874692
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1ccccn1)N/N=C/c1ccccn1
InChIInChI=1S/C17H18N6O2/c24-16(22-20-12-14-6-1-3-10-18-14)8-5-9-17(25)23-21-13-15-7-2-4-11-19-15/h1-4,6-7,10-13H,5,8-9H2,(H,22,24)(H,23,25)/b20-12+,21-13+
InChIKeyFLWQNBAFWTXYIC-ZIOPAAQOSA-N
XLogP1.25
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethylideneamino)propanamide
CID 958832
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 126151317
3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 5144752
3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 123310795
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877
3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 4681398
N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6900253

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide (CID 6874692) is N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide is O=C(CCCC(=O)N/N=C/c1ccccn1)N/N=C/c1ccccn1.
What is the InChIKey of N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide?
The InChIKey is FLWQNBAFWTXYIC-ZIOPAAQOSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(22-20-12-14-6-1-3-10-18-14)8-5-9-17(25)23-21-13-15-7-2-4-11-19-15/h1-4,6-7,10-13H,5,8-9H2,(H,22,24)(H,23,25)/b20-12+,21-13+.
What are the key properties of N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide?
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide has a molecular weight of 338.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide is sourced from PubChem (CID 6874692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).