N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide

C15H15Cl2N3O3 — CID 22006886

IUPACN-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide
SMILESO=C(NCCCCOc1c(Cl)cc(O)cc1Cl)c1cnccn1
InChIInChI=1S/C15H15Cl2N3O3/c16-11-7-10(21)8-12(17)14(11)23-6-2-1-3-20-15(22)13-9-18-4-5-19-13/h4-5,7-9,21H,1-3,6H2,(H,20,22)
InChIKeyCYRSQGHOMFRKJU-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.08
Rot. Bonds7

About N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide

N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide (PubChem CID 22006886) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide
PubChem CID22006886
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide
SMILESO=C(NCCCCOc1c(Cl)cc(O)cc1Cl)c1cnccn1
InChIInChI=1S/C15H15Cl2N3O3/c16-11-7-10(21)8-12(17)14(11)23-6-2-1-3-20-15(22)13-9-18-4-5-19-13/h4-5,7-9,21H,1-3,6H2,(H,20,22)
InChIKeyCYRSQGHOMFRKJU-UHFFFAOYSA-N
XLogP3.08
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22006727
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
CID 22006893
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
CID 6498608
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574671
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
CID 15231502
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
N-(3-azidopropyl)pyrazine-2-carboxamide
CID 62199377

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide (CID 22006886) is N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide is O=C(NCCCCOc1c(Cl)cc(O)cc1Cl)c1cnccn1.
What is the InChIKey of N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide?
The InChIKey is CYRSQGHOMFRKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c16-11-7-10(21)8-12(17)14(11)23-6-2-1-3-20-15(22)13-9-18-4-5-19-13/h4-5,7-9,21H,1-3,6H2,(H,20,22).
What are the key properties of N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide?
N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide has a molecular weight of 356.21 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide is sourced from PubChem (CID 22006886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).