5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid

C13H18N2O4 — CID 119139765

IUPAC5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC(CNC(=O)c1ccc(C(=O)O)nc1)C(C)C
InChIInChI=1S/C13H18N2O4/c1-8(2)11(19-3)7-15-12(16)9-4-5-10(13(17)18)14-6-9/h4-6,8,11H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLAYGVWMLHHGQRI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.18
Rot. Bonds6

About 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid

5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119139765) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119139765
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC(CNC(=O)c1ccc(C(=O)O)nc1)C(C)C
InChIInChI=1S/C13H18N2O4/c1-8(2)11(19-3)7-15-12(16)9-4-5-10(13(17)18)14-6-9/h4-6,8,11H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLAYGVWMLHHGQRI-UHFFFAOYSA-N
XLogP1.18
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid (CID 119139765) is 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid is COC(CNC(=O)c1ccc(C(=O)O)nc1)C(C)C.
What is the InChIKey of 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LAYGVWMLHHGQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)11(19-3)7-15-12(16)9-4-5-10(13(17)18)14-6-9/h4-6,8,11H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119139765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).