2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid

C15H23N3O4 — CID 94959691

IUPAC2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid
SMILESCN1CCC(N(C)Cc2cc(=O)c(O)cn2CC(=O)O)CC1
InChIInChI=1S/C15H23N3O4/c1-16-5-3-11(4-6-16)17(2)8-12-7-13(19)14(20)9-18(12)10-15(21)22/h7,9,11,20H,3-6,8,10H2,1-2H3,(H,21,22)
InChIKeySZOKSLPTQNPCRF-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.16
Rot. Bonds5

About 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid

2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid (PubChem CID 94959691) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid
PubChem CID94959691
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid
SMILESCN1CCC(N(C)Cc2cc(=O)c(O)cn2CC(=O)O)CC1
InChIInChI=1S/C15H23N3O4/c1-16-5-3-11(4-6-16)17(2)8-12-7-13(19)14(20)9-18(12)10-15(21)22/h7,9,11,20H,3-6,8,10H2,1-2H3,(H,21,22)
InChIKeySZOKSLPTQNPCRF-UHFFFAOYSA-N
XLogP0.16
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid (CID 94959691) is 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid is CN1CCC(N(C)Cc2cc(=O)c(O)cn2CC(=O)O)CC1.
What is the InChIKey of 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid?
The InChIKey is SZOKSLPTQNPCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-16-5-3-11(4-6-16)17(2)8-12-7-13(19)14(20)9-18(12)10-15(21)22/h7,9,11,20H,3-6,8,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid?
2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 94959691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).