2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid

C16H17NO4 — CID 118759087

IUPAC2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)O)c2C2CC2)o1
InChIInChI=1S/C16H17NO4/c1-9-7-13(18)14(16(19)20)15(11-4-5-11)17(9)8-12-6-3-10(2)21-12/h3,6-7,11H,4-5,8H2,1-2H3,(H,19,20)
InChIKeyBRHJVRYNXLNYFD-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid

2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 118759087) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID118759087
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)O)c2C2CC2)o1
InChIInChI=1S/C16H17NO4/c1-9-7-13(18)14(16(19)20)15(11-4-5-11)17(9)8-12-6-3-10(2)21-12/h3,6-7,11H,4-5,8H2,1-2H3,(H,19,20)
InChIKeyBRHJVRYNXLNYFD-UHFFFAOYSA-N
XLogP2.68
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid (CID 118759087) is 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid is Cc1ccc(Cn2c(C)cc(=O)c(C(=O)O)c2C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is BRHJVRYNXLNYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-7-13(18)14(16(19)20)15(11-4-5-11)17(9)8-12-6-3-10(2)21-12/h3,6-7,11H,4-5,8H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid?
2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 118759087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).