N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide

C20H16ClN5O2 — CID 118726875

IUPACN-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C20H16ClN5O2/c1-13-9-19(28-12-18(27)24-17-4-2-3-15(21)10-17)26-20(23-13)25-16-7-5-14(11-22)6-8-16/h2-10H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyGEWHOYVOVBWWMW-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.07
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide

N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide (PubChem CID 118726875) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide
PubChem CID118726875
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C20H16ClN5O2/c1-13-9-19(28-12-18(27)24-17-4-2-3-15(21)10-17)26-20(23-13)25-16-7-5-14(11-22)6-8-16/h2-10H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyGEWHOYVOVBWWMW-UHFFFAOYSA-N
XLogP4.07
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide 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-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide (CID 118726875) is N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide is Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide?
The InChIKey is GEWHOYVOVBWWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-13-9-19(28-12-18(27)24-17-4-2-3-15(21)10-17)26-20(23-13)25-16-7-5-14(11-22)6-8-16/h2-10H,12H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide?
N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide has a molecular weight of 393.83 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 118726875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).