6-(pyridine-2-carbonylamino)hexanoic acid

C12H16N2O3 — CID 16792895

IUPAC6-(pyridine-2-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccccn1
InChIInChI=1S/C12H16N2O3/c15-11(16)7-2-1-4-9-14-12(17)10-6-3-5-8-13-10/h3,5-6,8H,1-2,4,7,9H2,(H,14,17)(H,15,16)
InChIKeyLTDDQOQBHZYABP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds7

About 6-(pyridine-2-carbonylamino)hexanoic acid

6-(pyridine-2-carbonylamino)hexanoic acid (PubChem CID 16792895) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(pyridine-2-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(pyridine-2-carbonylamino)hexanoic acid
PubChem CID16792895
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(pyridine-2-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccccn1
InChIInChI=1S/C12H16N2O3/c15-11(16)7-2-1-4-9-14-12(17)10-6-3-5-8-13-10/h3,5-6,8H,1-2,4,7,9H2,(H,14,17)(H,15,16)
InChIKeyLTDDQOQBHZYABP-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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Related Compounds

N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
(E)-but-2-enedioic acid;N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
CID 155880885
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457

Frequently Asked Questions

What is the IUPAC name of 6-(pyridine-2-carbonylamino)hexanoic acid?
The IUPAC name of 6-(pyridine-2-carbonylamino)hexanoic acid (CID 16792895) is 6-(pyridine-2-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-(pyridine-2-carbonylamino)hexanoic acid?
The canonical SMILES for 6-(pyridine-2-carbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)c1ccccn1.
What is the InChIKey of 6-(pyridine-2-carbonylamino)hexanoic acid?
The InChIKey is LTDDQOQBHZYABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(16)7-2-1-4-9-14-12(17)10-6-3-5-8-13-10/h3,5-6,8H,1-2,4,7,9H2,(H,14,17)(H,15,16).
What are the key properties of 6-(pyridine-2-carbonylamino)hexanoic acid?
6-(pyridine-2-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-2-carbonylamino)hexanoic acid is sourced from PubChem (CID 16792895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).