3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid

C11H8N4O5 — CID 104739610

IUPAC3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8N4O5/c16-7-4-6(14-11(20)15-7)9(17)13-5-2-1-3-12-8(5)10(18)19/h1-4H,(H,13,17)(H,18,19)(H2,14,15,16,20)
InChIKeyPDCJDLOYXZEKRT-UHFFFAOYSA-N
MW276.21 g/mol
LogP-0.59
Rot. Bonds3

About 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid

3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104739610) has the molecular formula C11H8N4O5 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104739610
Molecular FormulaC11H8N4O5
Molecular Weight276.21 g/mol
Exact Mass276.05
IUPAC Name3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8N4O5/c16-7-4-6(14-11(20)15-7)9(17)13-5-2-1-3-12-8(5)10(18)19/h1-4H,(H,13,17)(H,18,19)(H2,14,15,16,20)
InChIKeyPDCJDLOYXZEKRT-UHFFFAOYSA-N
XLogP-0.59
TPSA145.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide
CID 110698347
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
CID 134433696
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447474
3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740309
3-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670919
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 104739937
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid (CID 104739610) is 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid is O=C(Nc1cccnc1C(=O)O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is PDCJDLOYXZEKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O5/c16-7-4-6(14-11(20)15-7)9(17)13-5-2-1-3-12-8(5)10(18)19/h1-4H,(H,13,17)(H,18,19)(H2,14,15,16,20).
What are the key properties of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).