N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide

C20H30N8O2 — CID 163474647

IUPACN,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide
SMILESNc1ccc(NCCNC(=O)CCCCC(=O)NCCNc2ccc(N)cn2)nc1
InChIInChI=1S/C20H30N8O2/c21-15-5-7-17(27-13-15)23-9-11-25-19(29)3-1-2-4-20(30)26-12-10-24-18-8-6-16(22)14-28-18/h5-8,13-14H,1-4,9-12,21-22H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyBZLINHIGRFUWQK-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.96
Rot. Bonds13

About N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide

N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide (PubChem CID 163474647) has the molecular formula C20H30N8O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide
PubChem CID163474647
Molecular FormulaC20H30N8O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC NameN,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide
SMILESNc1ccc(NCCNC(=O)CCCCC(=O)NCCNc2ccc(N)cn2)nc1
InChIInChI=1S/C20H30N8O2/c21-15-5-7-17(27-13-15)23-9-11-25-19(29)3-1-2-4-20(30)26-12-10-24-18-8-6-16(22)14-28-18/h5-8,13-14H,1-4,9-12,21-22H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyBZLINHIGRFUWQK-UHFFFAOYSA-N
XLogP0.96
TPSA160.08 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 50.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2-phenylacetamide
CID 82331463
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331443
3-[(5-amino-2-pyridinyl)amino]propanamide
CID 43553393
N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 82331124
N-[3-[(5-amino-2-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331101
N-(5-amino-2-pyridinyl)-6-methylheptanamide
CID 115273760
N-(5-amino-2-pyridinyl)-5-methylhexanamide
CID 115273731
2-N-hexylpyridine-2,5-diamine
CID 21487111
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
4-[(5-amino-2-pyridinyl)amino]butan-2-ol
CID 64928844
N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide
CID 82331113
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide?
The IUPAC name of N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide (CID 163474647) is N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide.
What is the SMILES notation for N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide?
The canonical SMILES for N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide is Nc1ccc(NCCNC(=O)CCCCC(=O)NCCNc2ccc(N)cn2)nc1.
What is the InChIKey of N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide?
The InChIKey is BZLINHIGRFUWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O2/c21-15-5-7-17(27-13-15)23-9-11-25-19(29)3-1-2-4-20(30)26-12-10-24-18-8-6-16(22)14-28-18/h5-8,13-14H,1-4,9-12,21-22H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30).
What are the key properties of N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide?
N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide has a molecular weight of 414.51 g/mol, XLogP of 0.96, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[(5-amino-2-pyridinyl)amino]ethyl]hexanediamide is sourced from PubChem (CID 163474647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).