6-[(6-cyano-3-pyridinyl)amino]hexanoic acid

C12H15N3O2 — CID 115487217

IUPAC6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
SMILESN#Cc1ccc(NCCCCCC(=O)O)cn1
InChIInChI=1S/C12H15N3O2/c13-8-10-5-6-11(9-15-10)14-7-3-1-2-4-12(16)17/h5-6,9,14H,1-4,7H2,(H,16,17)
InChIKeyLDWGNSMLYMKNHL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds7

About 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid

6-[(6-cyano-3-pyridinyl)amino]hexanoic acid (PubChem CID 115487217) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
PubChem CID115487217
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
SMILESN#Cc1ccc(NCCCCCC(=O)O)cn1
InChIInChI=1S/C12H15N3O2/c13-8-10-5-6-11(9-15-10)14-7-3-1-2-4-12(16)17/h5-6,9,14H,1-4,7H2,(H,16,17)
InChIKeyLDWGNSMLYMKNHL-UHFFFAOYSA-N
XLogP2.01
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
5-[4-(cyanomethyl)anilino]pentanoic acid
CID 103248140
4-[(6-amino-3-pyridinyl)amino]butanoic acid
CID 117044632
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443
6-(2-cyano-4-fluoroanilino)hexanoic acid
CID 63663440
7-[(5-cyanopyrimidin-4-yl)amino]heptanoic acid
CID 112754997
5-anilinopentanoic acid
CID 28972030

Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid?
The IUPAC name of 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid (CID 115487217) is 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid is N#Cc1ccc(NCCCCCC(=O)O)cn1.
What is the InChIKey of 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid?
The InChIKey is LDWGNSMLYMKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-8-10-5-6-11(9-15-10)14-7-3-1-2-4-12(16)17/h5-6,9,14H,1-4,7H2,(H,16,17).
What are the key properties of 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid?
6-[(6-cyano-3-pyridinyl)amino]hexanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-cyano-3-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 115487217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).