6-(pyridine-4-carbonylamino)hexanoic acid

C12H16N2O3 — CID 3235961

IUPAC6-(pyridine-4-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccncc1
InChIInChI=1S/C12H16N2O3/c15-11(16)4-2-1-3-7-14-12(17)10-5-8-13-9-6-10/h5-6,8-9H,1-4,7H2,(H,14,17)(H,15,16)
InChIKeyUOGTXKFLPZVENC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds7

About 6-(pyridine-4-carbonylamino)hexanoic acid

6-(pyridine-4-carbonylamino)hexanoic acid (PubChem CID 3235961) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(pyridine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(pyridine-4-carbonylamino)hexanoic acid
PubChem CID3235961
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(pyridine-4-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccncc1
InChIInChI=1S/C12H16N2O3/c15-11(16)4-2-1-3-7-14-12(17)10-5-8-13-9-6-10/h5-6,8-9H,1-4,7H2,(H,14,17)(H,15,16)
InChIKeyUOGTXKFLPZVENC-UHFFFAOYSA-N
XLogP1.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridine-4-carbonylamino)hexanoic acid?
The IUPAC name of 6-(pyridine-4-carbonylamino)hexanoic acid (CID 3235961) is 6-(pyridine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-(pyridine-4-carbonylamino)hexanoic acid?
The canonical SMILES for 6-(pyridine-4-carbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)c1ccncc1.
What is the InChIKey of 6-(pyridine-4-carbonylamino)hexanoic acid?
The InChIKey is UOGTXKFLPZVENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(16)4-2-1-3-7-14-12(17)10-5-8-13-9-6-10/h5-6,8-9H,1-4,7H2,(H,14,17)(H,15,16).
What are the key properties of 6-(pyridine-4-carbonylamino)hexanoic acid?
6-(pyridine-4-carbonylamino)hexanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 3235961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).