2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol

C17H16ClN5O — CID 5330368

IUPAC2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol
SMILESOCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H16ClN5O/c18-13-2-1-3-14(7-13)22-17-11-20-10-16(23-17)12-6-15(9-19-8-12)21-4-5-24/h1-3,6-11,21,24H,4-5H2,(H,22,23)
InChIKeyNDENTZARMCMWHO-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.34
Rot. Bonds6

About 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol

2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol (PubChem CID 5330368) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol
PubChem CID5330368
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol
SMILESOCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H16ClN5O/c18-13-2-1-3-14(7-13)22-17-11-20-10-16(23-17)12-6-15(9-19-8-12)21-4-5-24/h1-3,6-11,21,24H,4-5H2,(H,22,23)
InChIKeyNDENTZARMCMWHO-UHFFFAOYSA-N
XLogP3.34
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol (CID 5330368) is 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol is OCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol?
The InChIKey is NDENTZARMCMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-2-1-3-14(7-13)22-17-11-20-10-16(23-17)12-6-15(9-19-8-12)21-4-5-24/h1-3,6-11,21,24H,4-5H2,(H,22,23).
What are the key properties of 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol?
2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol has a molecular weight of 341.80 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 5330368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).