2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide

C11H20N6O — CID 164908599

IUPAC2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide
SMILESNCCCCC(N)C(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N6O/c12-6-2-1-3-8(14)11(18)17-9-5-4-7(13)10(15)16-9/h4-5,8H,1-3,6,12-14H2,(H3,15,16,17,18)
InChIKeySVEBYXLZFSKVCA-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.36
Rot. Bonds6

About 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide

2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide (PubChem CID 164908599) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide
PubChem CID164908599
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide
SMILESNCCCCC(N)C(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N6O/c12-6-2-1-3-8(14)11(18)17-9-5-4-7(13)10(15)16-9/h4-5,8H,1-3,6,12-14H2,(H3,15,16,17,18)
InChIKeySVEBYXLZFSKVCA-UHFFFAOYSA-N
XLogP-0.36
TPSA146.07 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenoxy)ethyl propan-2-yl carbonate;2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide
CID 164909178
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-methylpropanoate
CID 174260521
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] dihydrogen phosphate
CID 174260835
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-hydroxypropanoate
CID 174263867
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-pyrrolidin-1-ylacetate
CID 164908728
(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
CID 172827982
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide
CID 25200925
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
CID 70869921
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide?
The IUPAC name of 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide (CID 164908599) is 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide.
What is the SMILES notation for 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide?
The canonical SMILES for 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide is NCCCCC(N)C(=O)Nc1ccc(N)c(N)n1.
What is the InChIKey of 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide?
The InChIKey is SVEBYXLZFSKVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-6-2-1-3-8(14)11(18)17-9-5-4-7(13)10(15)16-9/h4-5,8H,1-3,6,12-14H2,(H3,15,16,17,18).
What are the key properties of 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide?
2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide has a molecular weight of 252.32 g/mol, XLogP of -0.36, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide is sourced from PubChem (CID 164908599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).