N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide

C14H14ClN5O3 — CID 53326481

IUPACN-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc(NC(C)=O)cc1Cl
InChIInChI=1S/C14H14ClN5O3/c1-8(21)20-9-3-4-12(11(15)5-9)23-14-10(6-19-22-2)13(16)17-7-18-14/h3-7H,1-2H3,(H,20,21)(H2,16,17,18)/b19-6+
InChIKeyWBSFTWXRWKSZMN-KPSZGOFPSA-N
MW335.75 g/mol
LogP2.44
Rot. Bonds5

About N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide

N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide (PubChem CID 53326481) has the molecular formula C14H14ClN5O3 and a molecular weight of 335.75 g/mol. Its IUPAC name is N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide
PubChem CID53326481
Molecular FormulaC14H14ClN5O3
Molecular Weight335.75 g/mol
Exact Mass335.08
IUPAC NameN-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc(NC(C)=O)cc1Cl
InChIInChI=1S/C14H14ClN5O3/c1-8(21)20-9-3-4-12(11(15)5-9)23-14-10(6-19-22-2)13(16)17-7-18-14/h3-7H,1-2H3,(H,20,21)(H2,16,17,18)/b19-6+
InChIKeyWBSFTWXRWKSZMN-KPSZGOFPSA-N
XLogP2.44
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]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-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide (CID 53326481) is N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide is CO/N=C/c1c(N)ncnc1Oc1ccc(NC(C)=O)cc1Cl.
What is the InChIKey of N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide?
The InChIKey is WBSFTWXRWKSZMN-KPSZGOFPSA-N. The full InChI is InChI=1S/C14H14ClN5O3/c1-8(21)20-9-3-4-12(11(15)5-9)23-14-10(6-19-22-2)13(16)17-7-18-14/h3-7H,1-2H3,(H,20,21)(H2,16,17,18)/b19-6+.
What are the key properties of N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide?
N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide has a molecular weight of 335.75 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-chlorophenyl]acetamide is sourced from PubChem (CID 53326481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).