5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid

C24H20N4O5 — CID 135434228

IUPAC5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCC(NC(=O)Nc1ccccc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C24H20N4O5/c1-13(15-11-6-8-14-7-2-3-9-16(14)15)25-24(33)26-18-12-5-4-10-17(18)21-27-19(23(31)32)20(29)22(30)28-21/h2-13,29H,1H3,(H,31,32)(H2,25,26,33)(H,27,28,30)
InChIKeyDJMRJLLDAONWTN-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.88
Rot. Bonds5

About 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434228) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434228
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Name5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCC(NC(=O)Nc1ccccc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C24H20N4O5/c1-13(15-11-6-8-14-7-2-3-9-16(14)15)25-24(33)26-18-12-5-4-10-17(18)21-27-19(23(31)32)20(29)22(30)28-21/h2-13,29H,1H3,(H,31,32)(H2,25,26,33)(H,27,28,30)
InChIKeyDJMRJLLDAONWTN-UHFFFAOYSA-N
XLogP3.88
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434234
5-hydroxy-6-oxo-2-[4-(1-thiophen-2-ylethylcarbamoylamino)thiophen-3-yl]-1H-pyrimidine-4-carboxylic acid
CID 135434683
5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434305
5-hydroxy-6-oxo-2-[2-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434189
5-hydroxy-2-[4-(naphthalen-1-ylsulfonylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434719
5-hydroxy-2-[3-[(2-hydroxy-1-phenylethyl)carbamoylamino]thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434447
5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434247
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[3-(benzylcarbamoylamino)thiophen-2-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434428
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265
2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434212

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434228) is 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is CC(NC(=O)Nc1ccccc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)c1cccc2ccccc12.
What is the InChIKey of 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is DJMRJLLDAONWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-13(15-11-6-8-14-7-2-3-9-16(14)15)25-24(33)26-18-12-5-4-10-17(18)21-27-19(23(31)32)20(29)22(30)28-21/h2-13,29H,1H3,(H,31,32)(H2,25,26,33)(H,27,28,30).
What are the key properties of 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 444.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).