N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide

C17H18N6O2 — CID 4208581

IUPACN,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
SMILESO=C(CCCC(=O)NN=Cc1cccnc1)NN=Cc1cccnc1
InChIInChI=1S/C17H18N6O2/c24-16(22-20-12-14-4-2-8-18-10-14)6-1-7-17(25)23-21-13-15-5-3-9-19-11-15/h2-5,8-13H,1,6-7H2,(H,22,24)(H,23,25)
InChIKeyMXMVTIRTHCFXIM-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.25
Rot. Bonds8

About N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide

N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide (PubChem CID 4208581) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
PubChem CID4208581
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
SMILESO=C(CCCC(=O)NN=Cc1cccnc1)NN=Cc1cccnc1
InChIInChI=1S/C17H18N6O2/c24-16(22-20-12-14-4-2-8-18-10-14)6-1-7-17(25)23-21-13-15-5-3-9-19-11-15/h2-5,8-13H,1,6-7H2,(H,22,24)(H,23,25)
InChIKeyMXMVTIRTHCFXIM-UHFFFAOYSA-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

N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560
N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4633351
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 6002218
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695
4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
CID 6898309
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126202012
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
N-[(Z)-pyridin-3-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424330

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide?
The IUPAC name of N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide (CID 4208581) is N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide.
What is the SMILES notation for N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide?
The canonical SMILES for N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide is O=C(CCCC(=O)NN=Cc1cccnc1)NN=Cc1cccnc1.
What is the InChIKey of N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide?
The InChIKey is MXMVTIRTHCFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(22-20-12-14-4-2-8-18-10-14)6-1-7-17(25)23-21-13-15-5-3-9-19-11-15/h2-5,8-13H,1,6-7H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide?
N,N'-bis(pyridin-3-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(pyridin-3-ylmethylideneamino)pentanediamide is sourced from PubChem (CID 4208581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).