[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride

C11H18ClN3O — CID 44666570

IUPAC[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
SMILES[Cl-].[NH3+]CCCCCC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H
InChIKeySRFKMPNQDCPOFU-UHFFFAOYSA-N
MW243.74 g/mol
LogP-2.17
Rot. Bonds6

About [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride

[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride (PubChem CID 44666570) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride.

Molecular Properties

Compound Name[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
PubChem CID44666570
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
SMILES[Cl-].[NH3+]CCCCCC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H
InChIKeySRFKMPNQDCPOFU-UHFFFAOYSA-N
XLogP-2.17
TPSA69.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
CID 71708363
7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
CID 119873088
4,4,4-trifluoro-N-pyridin-4-ylbutanamide
CID 155981646
N,2-dipyridin-4-ylacetamide
CID 110468100
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
CID 166835235
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
molecular hydrogen;N-[4-(pyridin-4-ylmethylamino)phenyl]octanamide
CID 154663589
N'-iodo-N-pyridin-4-ylpropanediamide
CID 122468435
11-anilino-11-oxoundecanoic acid
CID 150341840

Frequently Asked Questions

What is the IUPAC name of [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride?
The IUPAC name of [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride (CID 44666570) is [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride.
What is the SMILES notation for [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride?
The canonical SMILES for [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride is [Cl-].[NH3+]CCCCCC(=O)Nc1ccncc1.
What is the InChIKey of [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride?
The InChIKey is SRFKMPNQDCPOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H.
What are the key properties of [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride?
[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride has a molecular weight of 243.74 g/mol, XLogP of -2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride is sourced from PubChem (CID 44666570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).