N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C15H15ClN4O3 — CID 110526446

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O3/c1-9-12(14(22)19-15(23)18-9)6-7-13(21)20-17-8-10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,20,21)(H2,18,19,22,23)/b17-8+
InChIKeyBUKATCBMWSRAAN-CAOOACKPSA-N
MW334.76 g/mol
LogP1.11
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 110526446) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID110526446
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O3/c1-9-12(14(22)19-15(23)18-9)6-7-13(21)20-17-8-10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,20,21)(H2,18,19,22,23)/b17-8+
InChIKeyBUKATCBMWSRAAN-CAOOACKPSA-N
XLogP1.11
TPSA107.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide 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

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 110526472
N-[(E)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 110526383
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 110526401
[4-[(Z)-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110526232
N-[(E)-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 110526380
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
methyl 4-[[3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoylhydrazinylidene]methyl]benzoate
CID 1405159
N-[(4-chlorophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
CID 687668
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 110526268
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6864719
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide
CID 3356012

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 110526446) is N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is BUKATCBMWSRAAN-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-9-12(14(22)19-15(23)18-9)6-7-13(21)20-17-8-10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,20,21)(H2,18,19,22,23)/b17-8+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 334.76 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 110526446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).