N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide

C24H20ClN5O2 — CID 5330375

IUPACN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C24H20ClN5O2/c25-19-7-4-8-20(10-19)28-23-14-27-13-22(30-23)18-9-21(12-26-11-18)29-24(31)16-32-15-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,28,30)(H,29,31)
InChIKeyVNWIFJVTNVMBLJ-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.09
Rot. Bonds8

About N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide (PubChem CID 5330375) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide
PubChem CID5330375
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C24H20ClN5O2/c25-19-7-4-8-20(10-19)28-23-14-27-13-22(30-23)18-9-21(12-26-11-18)29-24(31)16-32-15-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,28,30)(H,29,31)
InChIKeyVNWIFJVTNVMBLJ-UHFFFAOYSA-N
XLogP5.09
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide (CID 5330375) is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide?
The InChIKey is VNWIFJVTNVMBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c25-19-7-4-8-20(10-19)28-23-14-27-13-22(30-23)18-9-21(12-26-11-18)29-24(31)16-32-15-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,28,30)(H,29,31).
What are the key properties of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide?
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide has a molecular weight of 445.91 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 5330375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).