9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid

C16H26N2O2 — CID 142077547

IUPAC9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid
SMILESCNc1nc(CCCCCCCCC(=O)O)ccc1C
InChIInChI=1S/C16H26N2O2/c1-13-11-12-14(18-16(13)17-2)9-7-5-3-4-6-8-10-15(19)20/h11-12H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCUJAFSDHXKUEOI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.79
Rot. Bonds10

About 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid

9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid (PubChem CID 142077547) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid.

Molecular Properties

Compound Name9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid
PubChem CID142077547
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid
SMILESCNc1nc(CCCCCCCCC(=O)O)ccc1C
InChIInChI=1S/C16H26N2O2/c1-13-11-12-14(18-16(13)17-2)9-7-5-3-4-6-8-10-15(19)20/h11-12H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCUJAFSDHXKUEOI-UHFFFAOYSA-N
XLogP3.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.79
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

10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
18-[2-(18-amino-18-oxooctadecyl)-3,6-dimethylphenyl]octadecanoic acid
CID 69051285
ethane;2-methylpyrimidine;9-(1,8-naphthyridin-2-yl)nonanoic acid;propane
CID 142124953
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
9-(3-methylfuran-2-yl)nonanoic acid
CID 18795097
dodecanedioic acid;1,4-xylene
CID 66586315
9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid
CID 69479229
11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid
CID 69479442
14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
CID 69480323
17-(2-methyl-1-phenylimidazol-4-yl)heptadecanoic acid
CID 69479264
10-(4-methylphenyl)decanoic acid
CID 54262490
methyl 6-(5-hydroxy-6-methyl-2-pyridinyl)hexanoate
CID 14312862

Frequently Asked Questions

What is the IUPAC name of 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid?
The IUPAC name of 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid (CID 142077547) is 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid.
What is the SMILES notation for 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid?
The canonical SMILES for 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid is CNc1nc(CCCCCCCCC(=O)O)ccc1C.
What is the InChIKey of 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid?
The InChIKey is CUJAFSDHXKUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-11-12-14(18-16(13)17-2)9-7-5-3-4-6-8-10-15(19)20/h11-12H,3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid?
9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid has a molecular weight of 278.40 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-methyl-6-(methylamino)-2-pyridinyl]nonanoic acid is sourced from PubChem (CID 142077547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).