2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid

C14H22N2O4 — CID 82217239

IUPAC2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid
SMILESCCCCN(C)Cc1c(O)c(=O)cc(C)n1CC(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-5-6-15(3)8-11-14(20)12(17)7-10(2)16(11)9-13(18)19/h7,20H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyNGQVDYBBXOYDFX-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.18
Rot. Bonds7

About 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid

2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid (PubChem CID 82217239) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid
PubChem CID82217239
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid
SMILESCCCCN(C)Cc1c(O)c(=O)cc(C)n1CC(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-5-6-15(3)8-11-14(20)12(17)7-10(2)16(11)9-13(18)19/h7,20H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyNGQVDYBBXOYDFX-UHFFFAOYSA-N
XLogP1.18
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid (CID 82217239) is 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid is CCCCN(C)Cc1c(O)c(=O)cc(C)n1CC(=O)O.
What is the InChIKey of 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The InChIKey is NGQVDYBBXOYDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-5-6-15(3)8-11-14(20)12(17)7-10(2)16(11)9-13(18)19/h7,20H,4-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82217239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).