2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid

C13H18N2O4 — CID 43469797

IUPAC2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccn(C)c(=O)c1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-5-10(13(18)19)14-12(17)9-6-7-15(2)11(16)8-9/h6-8,10H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyAPZSYDJBNDLZII-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds6

About 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid

2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 43469797) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
PubChem CID43469797
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccn(C)c(=O)c1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-5-10(13(18)19)14-12(17)9-6-7-15(2)11(16)8-9/h6-8,10H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyAPZSYDJBNDLZII-UHFFFAOYSA-N
XLogP0.76
TPSA88.40 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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid (CID 43469797) is 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1ccn(C)c(=O)c1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is APZSYDJBNDLZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-5-10(13(18)19)14-12(17)9-6-7-15(2)11(16)8-9/h6-8,10H,3-5H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).