6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid

C15H20N2O4 — CID 107405954

IUPAC6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCCC(C)(O)CC2)ccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-11(14(19)20)4-5-12(16-10)13(18)17-8-3-6-15(2,21)7-9-17/h4-5,21H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyZJLMPZJGMLIROX-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.47
Rot. Bonds2

About 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid

6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 107405954) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
PubChem CID107405954
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCCC(C)(O)CC2)ccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-11(14(19)20)4-5-12(16-10)13(18)17-8-3-6-15(2,21)7-9-17/h4-5,21H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyZJLMPZJGMLIROX-UHFFFAOYSA-N
XLogP1.47
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid (CID 107405954) is 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)N2CCCC(C)(O)CC2)ccc1C(=O)O.
What is the InChIKey of 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is ZJLMPZJGMLIROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-11(14(19)20)4-5-12(16-10)13(18)17-8-3-6-15(2,21)7-9-17/h4-5,21H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107405954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).