4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide

C14H9N3O4 — CID 54695908

IUPAC4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
SMILESO=C(Nc1ncccn1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C14H9N3O4/c18-11-8-4-1-2-5-9(8)21-13(20)10(11)12(19)17-14-15-6-3-7-16-14/h1-7,18H,(H,15,16,17,19)
InChIKeyDHZHLVCECPOTKS-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.54
Rot. Bonds2

About 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide

4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide (PubChem CID 54695908) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
PubChem CID54695908
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
SMILESO=C(Nc1ncccn1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C14H9N3O4/c18-11-8-4-1-2-5-9(8)21-13(20)10(11)12(19)17-14-15-6-3-7-16-14/h1-7,18H,(H,15,16,17,19)
InChIKeyDHZHLVCECPOTKS-UHFFFAOYSA-N
XLogP1.54
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54736250
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)chromene-3-carboxamide
CID 54726652
4-hydroxy-2-oxochromene-3-carboxylic acid;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 174160334
N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54737498
4-hydroxy-2-oxo-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]chromene-3-carboxamide
CID 54726649
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
N-[3-chloro-4-(trifluoromethyl)thiophen-2-yl]-4-hydroxy-2-oxochromene-3-carboxamide
CID 88650334
N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54706041
4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide
CID 54715285
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide (CID 54695908) is 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide is O=C(Nc1ncccn1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide?
The InChIKey is DHZHLVCECPOTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-11-8-4-1-2-5-9(8)21-13(20)10(11)12(19)17-14-15-6-3-7-16-14/h1-7,18H,(H,15,16,17,19).
What are the key properties of 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide?
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide has a molecular weight of 283.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 54695908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).