N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide

C14H13N5O5 — CID 2326914

IUPACN-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N5O5/c20-9(6-7-15-11(21)8-4-2-1-3-5-8)18-19-10-12(22)16-14(24)17-13(10)23/h1-5H,6-7H2,(H,15,21)(H3,16,17,22,23,24)/b19-18+
InChIKeyXQAJKFVZVDWXMB-VHEBQXMUSA-N
MW331.29 g/mol
LogP0.20
Rot. Bonds5

About N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide

N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide (PubChem CID 2326914) has the molecular formula C14H13N5O5 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide
PubChem CID2326914
Molecular FormulaC14H13N5O5
Molecular Weight331.29 g/mol
Exact Mass331.09
IUPAC NameN-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N5O5/c20-9(6-7-15-11(21)8-4-2-1-3-5-8)18-19-10-12(22)16-14(24)17-13(10)23/h1-5H,6-7H2,(H,15,21)(H3,16,17,22,23,24)/b19-18+
InChIKeyXQAJKFVZVDWXMB-VHEBQXMUSA-N
XLogP0.20
TPSA156.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4997686
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
bis(3-benzamidopropanoic acid);piperazine
CID 3045072
N-(4-oxopentyl)benzamide
CID 10798281
2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide
CID 3097032
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
3-(2-benzamidoethylsulfanyl)propanoic acid
CID 71051186
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
CID 130431983
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-(3-prop-2-enoxypropyl)benzamide
CID 10775246
3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-4-methylbenzoate
CID 2125591
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide (CID 2326914) is N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide?
The InChIKey is XQAJKFVZVDWXMB-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H13N5O5/c20-9(6-7-15-11(21)8-4-2-1-3-5-8)18-19-10-12(22)16-14(24)17-13(10)23/h1-5H,6-7H2,(H,15,21)(H3,16,17,22,23,24)/b19-18+.
What are the key properties of N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide?
N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide has a molecular weight of 331.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 2326914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).