N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide

C19H22N6O2 — CID 4258546

IUPACN,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
SMILESCC(=NNC(=O)CCCC(=O)NN=C(C)c1ccccn1)c1ccccn1
InChIInChI=1S/C19H22N6O2/c1-14(16-8-3-5-12-20-16)22-24-18(26)10-7-11-19(27)25-23-15(2)17-9-4-6-13-21-17/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRVEKQAGGHNKSPP-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.03
Rot. Bonds8

About N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide

N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide (PubChem CID 4258546) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
PubChem CID4258546
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
SMILESCC(=NNC(=O)CCCC(=O)NN=C(C)c1ccccn1)c1ccccn1
InChIInChI=1S/C19H22N6O2/c1-14(16-8-3-5-12-20-16)22-24-18(26)10-7-11-19(27)25-23-15(2)17-9-4-6-13-21-17/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRVEKQAGGHNKSPP-UHFFFAOYSA-N
XLogP2.03
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.03
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

trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592
2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 6089555
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
CID 139074285
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]propanamide
CID 9213385
2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086
2-(4-phenyl-1,3-thiazol-2-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8881051
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide?
The IUPAC name of N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide (CID 4258546) is N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide.
What is the SMILES notation for N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide?
The canonical SMILES for N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide is CC(=NNC(=O)CCCC(=O)NN=C(C)c1ccccn1)c1ccccn1.
What is the InChIKey of N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide?
The InChIKey is RVEKQAGGHNKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14(16-8-3-5-12-20-16)22-24-18(26)10-7-11-19(27)25-23-15(2)17-9-4-6-13-21-17/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide?
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide has a molecular weight of 366.43 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide is sourced from PubChem (CID 4258546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).