6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid

C18H22N2O2 — CID 70610869

IUPAC6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCCCCc1ccccc1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C18H22N2O2/c1-20(17-12-11-16(14-19-17)18(21)22)13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14H,3,6-7,10,13H2,1H3,(H,21,22)
InChIKeyWAFXATJOQDYGEX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.63
Rot. Bonds8

About 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid

6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid (PubChem CID 70610869) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
PubChem CID70610869
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCCCCc1ccccc1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C18H22N2O2/c1-20(17-12-11-16(14-19-17)18(21)22)13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14H,3,6-7,10,13H2,1H3,(H,21,22)
InChIKeyWAFXATJOQDYGEX-UHFFFAOYSA-N
XLogP3.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
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-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid (CID 70610869) is 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid is CN(CCCCCc1ccccc1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid?
The InChIKey is WAFXATJOQDYGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20(17-12-11-16(14-19-17)18(21)22)13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14H,3,6-7,10,13H2,1H3,(H,21,22).
What are the key properties of 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid?
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 70610869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).