6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid

C12H10N4O5 — CID 63642049

IUPAC6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H10N4O5/c17-9-4-5-16(12(21)15-9)6-10(18)14-8-3-1-2-7(13-8)11(19)20/h1-5H,6H2,(H,19,20)(H,13,14,18)(H,15,17,21)
InChIKeyLNKSVAAGRWKOAX-UHFFFAOYSA-N
MW290.24 g/mol
LogP-0.73
Rot. Bonds4

About 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid

6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63642049) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID63642049
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H10N4O5/c17-9-4-5-16(12(21)15-9)6-10(18)14-8-3-1-2-7(13-8)11(19)20/h1-5H,6H2,(H,19,20)(H,13,14,18)(H,15,17,21)
InChIKeyLNKSVAAGRWKOAX-UHFFFAOYSA-N
XLogP-0.73
TPSA134.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid
CID 63262327
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115610334
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 134050105
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 52511313
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 63642049) is 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is LNKSVAAGRWKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c17-9-4-5-16(12(21)15-9)6-10(18)14-8-3-1-2-7(13-8)11(19)20/h1-5H,6H2,(H,19,20)(H,13,14,18)(H,15,17,21).
What are the key properties of 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).