N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

C14H13N3O5 — CID 23457452

IUPACN-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C14H13N3O5/c18-4-3-15-11(19)7-1-2-10-8(5-7)6-9-12(20)16-14(21)17-13(9)22-10/h1-2,5,18H,3-4,6H2,(H,15,19)(H2,16,17,20,21)
InChIKeyFWUQDQBDBMTKHM-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.52
Rot. Bonds3

About N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (PubChem CID 23457452) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
PubChem CID23457452
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC NameN-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C14H13N3O5/c18-4-3-15-11(19)7-1-2-10-8(5-7)6-9-12(20)16-14(21)17-13(9)22-10/h1-2,5,18H,3-4,6H2,(H,15,19)(H2,16,17,20,21)
InChIKeyFWUQDQBDBMTKHM-UHFFFAOYSA-N
XLogP-0.52
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457492
N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457364
2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 70568243
2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457470
N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 20564246
N-(2-hydroxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 88771520
1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
CID 12693917
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
pentyl 4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate
CID 20564274
N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide
CID 94980333
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110161407

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (CID 23457452) is N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is O=C(NCCO)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2.
What is the InChIKey of N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is FWUQDQBDBMTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-4-3-15-11(19)7-1-2-10-8(5-7)6-9-12(20)16-14(21)17-13(9)22-10/h1-2,5,18H,3-4,6H2,(H,15,19)(H2,16,17,20,21).
What are the key properties of N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 303.27 g/mol, XLogP of -0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 23457452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).