6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide

C15H16ClN3O — CID 103336985

IUPAC6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
SMILESCC(C)C(NC(=O)c1cncc(Cl)n1)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)14(11-6-4-3-5-7-11)19-15(20)12-8-17-9-13(16)18-12/h3-10,14H,1-2H3,(H,19,20)
InChIKeyWTVYDYNAUCPQGC-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.26
Rot. Bonds4

About 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide

6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide (PubChem CID 103336985) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
PubChem CID103336985
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
SMILESCC(C)C(NC(=O)c1cncc(Cl)n1)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)14(11-6-4-3-5-7-11)19-15(20)12-8-17-9-13(16)18-12/h3-10,14H,1-2H3,(H,19,20)
InChIKeyWTVYDYNAUCPQGC-UHFFFAOYSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 103336949
6-chloro-N-[1-(3-nitrophenyl)ethyl]pyrazine-2-carboxamide
CID 103187129
N-benzhydryl-6-methylpyrazine-2-carboxamide
CID 146075272
6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide
CID 106551023
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide (CID 103336985) is 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide is CC(C)C(NC(=O)c1cncc(Cl)n1)c1ccccc1.
What is the InChIKey of 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide?
The InChIKey is WTVYDYNAUCPQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(2)14(11-6-4-3-5-7-11)19-15(20)12-8-17-9-13(16)18-12/h3-10,14H,1-2H3,(H,19,20).
What are the key properties of 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide?
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103336985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).