6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide

C15H16ClN3O — CID 106551267

IUPAC6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
SMILESCC(CCNC(=O)c1cncc(Cl)n1)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-11(12-5-3-2-4-6-12)7-8-18-15(20)13-9-17-10-14(16)19-13/h2-6,9-11H,7-8H2,1H3,(H,18,20)
InChIKeyJANPFRXEWZJAIB-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.05
Rot. Bonds5

About 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide

6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide (PubChem CID 106551267) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
PubChem CID106551267
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
SMILESCC(CCNC(=O)c1cncc(Cl)n1)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-11(12-5-3-2-4-6-12)7-8-18-15(20)13-9-17-10-14(16)19-13/h2-6,9-11H,7-8H2,1H3,(H,18,20)
InChIKeyJANPFRXEWZJAIB-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103336985
N-(3-phenylbutyl)benzamide
CID 62403316
6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 103336949
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
5-chloro-N-(3-phenylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619556
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide
CID 166839536

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide (CID 106551267) is 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide is CC(CCNC(=O)c1cncc(Cl)n1)c1ccccc1.
What is the InChIKey of 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide?
The InChIKey is JANPFRXEWZJAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11(12-5-3-2-4-6-12)7-8-18-15(20)13-9-17-10-14(16)19-13/h2-6,9-11H,7-8H2,1H3,(H,18,20).
What are the key properties of 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide?
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).