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

C15H24N2O4 — CID 82217219

IUPAC2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(C)n1CC(=O)O
InChIInChI=1S/C15H24N2O4/c1-4-6-16(7-5-2)9-12-15(21)13(18)8-11(3)17(12)10-14(19)20/h8,21H,4-7,9-10H2,1-3H3,(H,19,20)
InChIKeyJPOUFCYQOGBNRX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.57
Rot. Bonds8

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

2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid (PubChem CID 82217219) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid
PubChem CID82217219
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(C)n1CC(=O)O
InChIInChI=1S/C15H24N2O4/c1-4-6-16(7-5-2)9-12-15(21)13(18)8-11(3)17(12)10-14(19)20/h8,21H,4-7,9-10H2,1-3H3,(H,19,20)
InChIKeyJPOUFCYQOGBNRX-UHFFFAOYSA-N
XLogP1.57
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid (CID 82217219) is 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid is CCCN(CCC)Cc1c(O)c(=O)cc(C)n1CC(=O)O.
What is the InChIKey of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The InChIKey is JPOUFCYQOGBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-6-16(7-5-2)9-12-15(21)13(18)8-11(3)17(12)10-14(19)20/h8,21H,4-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid?
2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82217219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).