6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid

C20H23N3O5 — CID 123142326

IUPAC6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c(=O)n1C(CC1CCCC1)C(=O)Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C20H23N3O5/c1-12-8-18(25)22-20(28)23(12)16(9-13-4-2-3-5-13)17(24)10-15-7-6-14(11-21-15)19(26)27/h6-8,11,13,16H,2-5,9-10H2,1H3,(H,26,27)(H,22,25,28)
InChIKeyGIOLIGCKDDMXNH-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.87
Rot. Bonds7

About 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid

6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid (PubChem CID 123142326) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
PubChem CID123142326
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c(=O)n1C(CC1CCCC1)C(=O)Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C20H23N3O5/c1-12-8-18(25)22-20(28)23(12)16(9-13-4-2-3-5-13)17(24)10-15-7-6-14(11-21-15)19(26)27/h6-8,11,13,16H,2-5,9-10H2,1H3,(H,26,27)(H,22,25,28)
InChIKeyGIOLIGCKDDMXNH-UHFFFAOYSA-N
XLogP1.87
TPSA122.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid (CID 123142326) is 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid is Cc1cc(=O)[nH]c(=O)n1C(CC1CCCC1)C(=O)Cc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid?
The InChIKey is GIOLIGCKDDMXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-12-8-18(25)22-20(28)23(12)16(9-13-4-2-3-5-13)17(24)10-15-7-6-14(11-21-15)19(26)27/h6-8,11,13,16H,2-5,9-10H2,1H3,(H,26,27)(H,22,25,28).
What are the key properties of 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid?
6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 123142326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).