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

C17H14ClN5O2 — CID 5330372

IUPACN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H14ClN5O2/c18-12-2-1-3-13(5-12)21-16-9-20-8-15(23-16)11-4-14(7-19-6-11)22-17(25)10-24/h1-9,24H,10H2,(H,21,23)(H,22,25)
InChIKeyLMHRDOSOBKKYLF-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.87
Rot. Bonds5

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

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide (PubChem CID 5330372) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide
PubChem CID5330372
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H14ClN5O2/c18-12-2-1-3-13(5-12)21-16-9-20-8-15(23-16)11-4-14(7-19-6-11)22-17(25)10-24/h1-9,24H,10H2,(H,21,23)(H,22,25)
InChIKeyLMHRDOSOBKKYLF-UHFFFAOYSA-N
XLogP2.87
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.87
H-Bond Donors ≤ 53
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-hydroxyacetamide?
The IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide (CID 5330372) is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide?
The canonical SMILES for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide is O=C(CO)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide?
The InChIKey is LMHRDOSOBKKYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-12-2-1-3-13(5-12)21-16-9-20-8-15(23-16)11-4-14(7-19-6-11)22-17(25)10-24/h1-9,24H,10H2,(H,21,23)(H,22,25).
What are the key properties of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide?
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-hydroxyacetamide has a molecular weight of 355.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 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-hydroxyacetamide is sourced from PubChem (CID 5330372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).