(E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide

C15H13N5O5 — CID 171982788

IUPAC(E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(CNC(=O)/C=C/c1ccccc1)/N=N/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H13N5O5/c21-10(7-6-9-4-2-1-3-5-9)16-8-11(22)19-20-12-13(23)17-15(25)18-14(12)24/h1-7H,8H2,(H,16,21)(H3,17,18,23,24,25)/b7-6+,20-19+
InChIKeyNXGZMAGNZQSFEQ-ZWSRXQOGSA-N
MW343.30 g/mol
LogP0.21
Rot. Bonds5

About (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 171982788) has the molecular formula C15H13N5O5 and a molecular weight of 343.30 g/mol. Its IUPAC name is (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID171982788
Molecular FormulaC15H13N5O5
Molecular Weight343.30 g/mol
Exact Mass343.09
IUPAC Name(E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(CNC(=O)/C=C/c1ccccc1)/N=N/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H13N5O5/c21-10(7-6-9-4-2-1-3-5-9)16-8-11(22)19-20-12-13(23)17-15(25)18-14(12)24/h1-7H,8H2,(H,16,21)(H3,17,18,23,24,25)/b7-6+,20-19+
InChIKeyNXGZMAGNZQSFEQ-ZWSRXQOGSA-N
XLogP0.21
TPSA156.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 50.21
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241
6-hydroxy-5-(2-phenylethenyl)-1H-pyrimidine-2,4-dione
CID 123415480
N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide
CID 151838842
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2863650
methyl 2-[2-hydroxy-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetyl]diazenyl]indol-1-yl]acetate
CID 135648157
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 16814021

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 171982788) is (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide is O=C(CNC(=O)/C=C/c1ccccc1)/N=N/c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is NXGZMAGNZQSFEQ-ZWSRXQOGSA-N. The full InChI is InChI=1S/C15H13N5O5/c21-10(7-6-9-4-2-1-3-5-9)16-8-11(22)19-20-12-13(23)17-15(25)18-14(12)24/h1-7H,8H2,(H,16,21)(H3,17,18,23,24,25)/b7-6+,20-19+.
What are the key properties of (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 343.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171982788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).