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

C23H18ClN5O2 — CID 5330376

IUPACN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C23H18ClN5O2/c24-17-5-4-6-18(10-17)27-22-14-26-13-21(29-22)16-9-19(12-25-11-16)28-23(30)15-31-20-7-2-1-3-8-20/h1-14H,15H2,(H,27,29)(H,28,30)
InChIKeyKMBNVVBGWONPFT-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.95
Rot. Bonds7

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

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide (PubChem CID 5330376) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide
PubChem CID5330376
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C23H18ClN5O2/c24-17-5-4-6-18(10-17)27-22-14-26-13-21(29-22)16-9-19(12-25-11-16)28-23(30)15-31-20-7-2-1-3-8-20/h1-14H,15H2,(H,27,29)(H,28,30)
InChIKeyKMBNVVBGWONPFT-UHFFFAOYSA-N
XLogP4.95
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.95
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-phenoxyacetamide?
The IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide (CID 5330376) is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide?
The InChIKey is KMBNVVBGWONPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-17-5-4-6-18(10-17)27-22-14-26-13-21(29-22)16-9-19(12-25-11-16)28-23(30)15-31-20-7-2-1-3-8-20/h1-14H,15H2,(H,27,29)(H,28,30).
What are the key properties of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide?
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-phenoxyacetamide has a molecular weight of 431.88 g/mol, XLogP of 4.95, 7 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-phenoxyacetamide is sourced from PubChem (CID 5330376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).