6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid

C17H26N2O4 — CID 39150979

IUPAC6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
SMILESCc1ccc(=O)n(CCCCC(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C17H26N2O4/c1-14-9-10-16(21)19(13-14)12-6-4-7-15(20)18-11-5-2-3-8-17(22)23/h9-10,13H,2-8,11-12H2,1H3,(H,18,20)(H,22,23)
InChIKeyIWRRYXBQLGKERB-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.09
Rot. Bonds11

About 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid

6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid (PubChem CID 39150979) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
PubChem CID39150979
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
SMILESCc1ccc(=O)n(CCCCC(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C17H26N2O4/c1-14-9-10-16(21)19(13-14)12-6-4-7-15(20)18-11-5-2-3-8-17(22)23/h9-10,13H,2-8,11-12H2,1H3,(H,18,20)(H,22,23)
InChIKeyIWRRYXBQLGKERB-UHFFFAOYSA-N
XLogP2.09
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.09
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

12-[11-[4-[2-(4-Oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1-pyridyl]undecanoylamino]dodecanoic acid
CID 362342
8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
6-[(1-methyl-2H-pyridine-3-carbonyl)amino]hexanoic acid
CID 20132330
6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
2-(3-aminopropyl)-1-icosa-5,8,11,14,17-pentaenoyl-2H-pyridine-3-carboxylic acid
CID 70401230
7-[[(3E,5Z)-4-(formamidomethyl)-2-methylidenehepta-3,5-dienoyl]amino]heptanoic acid
CID 89234181
tert-butyl 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoate
CID 170959736
6-(5-Aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid
CID 175499394
2-[1-(6-Aminohexyl)-6-oxo-3-pyridinyl]acetic acid
CID 176403685
2-[1-[6-[(2-Methylpropan-2-yl)oxycarbonylamino]hexyl]-6-oxo-3-pyridinyl]acetic acid
CID 176403690
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24691646
6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid
CID 24695392

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
The IUPAC name of 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid (CID 39150979) is 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid.
What is the SMILES notation for 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
The canonical SMILES for 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid is Cc1ccc(=O)n(CCCCC(=O)NCCCCCC(=O)O)c1.
What is the InChIKey of 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
The InChIKey is IWRRYXBQLGKERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-14-9-10-16(21)19(13-14)12-6-4-7-15(20)18-11-5-2-3-8-17(22)23/h9-10,13H,2-8,11-12H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid has a molecular weight of 322.41 g/mol, XLogP of 2.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid is sourced from PubChem (CID 39150979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).