3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid

C10H7N3O4 — CID 66966960

IUPAC3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H7N3O4/c14-7(15)2-1-5-3-6-8(11-4-5)12-10(17)13-9(6)16/h1-4H,(H,14,15)(H2,11,12,13,16,17)
InChIKeyCQKFDIJYJIIRQH-UHFFFAOYSA-N
MW233.18 g/mol
LogP-0.29
Rot. Bonds2

About 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid

3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid (PubChem CID 66966960) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid
PubChem CID66966960
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H7N3O4/c14-7(15)2-1-5-3-6-8(11-4-5)12-10(17)13-9(6)16/h1-4H,(H,14,15)(H2,11,12,13,16,17)
InChIKeyCQKFDIJYJIIRQH-UHFFFAOYSA-N
XLogP-0.29
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-2-Pyridinyl-3-pyridinecarboxamide
CID 83187
1H-Pyrido[2,3-d]pyrimidine-2,4-dione
CID 270260
5,6,7,8-Tetrahydro-1,8-naphthyridine-3-carboxamide
CID 168299212
2-Methylpyrido(2,3-d)pyrimidin-4(3H)-one
CID 135502605
2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 17750172
3-butyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 3244951
3-[3-(diethylamino)propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 4324595
2-Aminopyrido(2,3-d)pyrimidin-4(3H)-one
CID 135404215
Pyrido(2,3-d)pyrimidin-4(3H)-one, 2-(3-pyridinyl)-
CID 135783091
2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 31661241
1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 14518323
6-Amino-pyrido(2,3-d)pyrimidine-2,4-dione
CID 822181

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid (CID 66966960) is 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid is O=C(O)C=Cc1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid?
The InChIKey is CQKFDIJYJIIRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-7(15)2-1-5-3-6-8(11-4-5)12-10(17)13-9(6)16/h1-4H,(H,14,15)(H2,11,12,13,16,17).
What are the key properties of 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid?
3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid has a molecular weight of 233.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid is sourced from PubChem (CID 66966960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).