8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid

C15H22N2O3 — CID 120535627

IUPAC8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
SMILESCc1cccnc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-12-8-7-11-16-14(12)15(20)17-10-6-4-2-3-5-9-13(18)19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyRNELXJRJOFRRRF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.55
Rot. Bonds9

About 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid

8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid (PubChem CID 120535627) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
PubChem CID120535627
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
SMILESCc1cccnc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-12-8-7-11-16-14(12)15(20)17-10-6-4-2-3-5-9-13(18)19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyRNELXJRJOFRRRF-UHFFFAOYSA-N
XLogP2.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.55
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-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide
CID 163545247
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773
4-[3-(3-methyl-2-pyridinyl)propylcarbamoylamino]butanoic acid
CID 122016399
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid (CID 120535627) is 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid is Cc1cccnc1C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid?
The InChIKey is RNELXJRJOFRRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-8-7-11-16-14(12)15(20)17-10-6-4-2-3-5-9-13(18)19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid?
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid is sourced from PubChem (CID 120535627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).