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

C14H14ClN3O — CID 103336949

IUPAC6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c1-10(11-6-4-3-5-7-11)18(2)14(19)12-8-16-9-13(15)17-12/h3-10H,1-2H3
InChIKeyXNJZTTWHKVBMSZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.96
Rot. Bonds3

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

6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 103336949) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID103336949
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c1-10(11-6-4-3-5-7-11)18(2)14(19)12-8-16-9-13(15)17-12/h3-10H,1-2H3
InChIKeyXNJZTTWHKVBMSZ-UHFFFAOYSA-N
XLogP2.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 106551043
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103336985
methyl(1-phenylethyl)carbamic acid
CID 67062794
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 103817080
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
N-benzyl-6-chloro-N-propylpyrazine-2-carboxamide
CID 103186970
N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 99801523
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 106551027
5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42892858
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 103336949) is 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide is CC(c1ccccc1)N(C)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is XNJZTTWHKVBMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10(11-6-4-3-5-7-11)18(2)14(19)12-8-16-9-13(15)17-12/h3-10H,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide?
6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103336949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).