7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid

C20H24N2O4 — CID 119350793

IUPAC7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
SMILESCOc1ccc(-c2cncc(C(=O)NCCCCCCC(=O)O)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-26-18-9-7-15(8-10-18)16-12-17(14-21-13-16)20(25)22-11-5-3-2-4-6-19(23)24/h7-10,12-14H,2-6,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyVUFLAZJYGYALHG-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.52
Rot. Bonds10

About 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid

7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid (PubChem CID 119350793) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
PubChem CID119350793
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
SMILESCOc1ccc(-c2cncc(C(=O)NCCCCCCC(=O)O)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-26-18-9-7-15(8-10-18)16-12-17(14-21-13-16)20(25)22-11-5-3-2-4-6-19(23)24/h7-10,12-14H,2-6,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyVUFLAZJYGYALHG-UHFFFAOYSA-N
XLogP3.52
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.52
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

5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
CID 120525366
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
6-[(4-methoxybenzenecarbothioyl)amino]hexanoic acid
CID 5303098
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid (CID 119350793) is 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid is COc1ccc(-c2cncc(C(=O)NCCCCCCC(=O)O)c2)cc1.
What is the InChIKey of 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid?
The InChIKey is VUFLAZJYGYALHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-26-18-9-7-15(8-10-18)16-12-17(14-21-13-16)20(25)22-11-5-3-2-4-6-19(23)24/h7-10,12-14H,2-6,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid?
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 119350793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).