N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide

C17H18N4O4 — CID 937012

IUPACN-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
SMILESC=CCn1c(O)c(/C(C)=N/c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18N4O4/c1-4-9-21-16(24)14(15(23)20-17(21)25)10(2)18-12-5-7-13(8-6-12)19-11(3)22/h4-8,24H,1,9H2,2-3H3,(H,19,22)(H,20,23,25)/b18-10+
InChIKeyFHFUUTMTMPIHBN-VCHYOVAHSA-N
MW342.36 g/mol
LogP1.53
Rot. Bonds5

About N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide

N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide (PubChem CID 937012) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
PubChem CID937012
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
SMILESC=CCn1c(O)c(/C(C)=N/c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18N4O4/c1-4-9-21-16(24)14(15(23)20-17(21)25)10(2)18-12-5-7-13(8-6-12)19-11(3)22/h4-8,24H,1,9H2,2-3H3,(H,19,22)(H,20,23,25)/b18-10+
InChIKeyFHFUUTMTMPIHBN-VCHYOVAHSA-N
XLogP1.53
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide (CID 937012) is N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide is C=CCn1c(O)c(/C(C)=N/c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The InChIKey is FHFUUTMTMPIHBN-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-4-9-21-16(24)14(15(23)20-17(21)25)10(2)18-12-5-7-13(8-6-12)19-11(3)22/h4-8,24H,1,9H2,2-3H3,(H,19,22)(H,20,23,25)/b18-10+.
What are the key properties of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide is sourced from PubChem (CID 937012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).