6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide

C14H14ClN3O — CID 106551027

IUPAC6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cncc(Cl)n2)c1
InChIInChI=1S/C14H14ClN3O/c1-10-4-3-5-11(6-10)9-18(2)14(19)12-7-16-8-13(15)17-12/h3-8H,9H2,1-2H3
InChIKeyCGGHLJHPHCTGIL-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.71
Rot. Bonds3

About 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide

6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 106551027) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID106551027
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cncc(Cl)n2)c1
InChIInChI=1S/C14H14ClN3O/c1-10-4-3-5-11(6-10)9-18(2)14(19)12-7-16-8-13(15)17-12/h3-8H,9H2,1-2H3
InChIKeyCGGHLJHPHCTGIL-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62234937
6-N-benzyl-6-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097681
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide
CID 106551756
N-benzyl-6-chloro-N-propylpyrazine-2-carboxamide
CID 103186970
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 17496872
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide (CID 106551027) is 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1cccc(CN(C)C(=O)c2cncc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is CGGHLJHPHCTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-4-3-5-11(6-10)9-18(2)14(19)12-7-16-8-13(15)17-12/h3-8H,9H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.71, 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-[(3-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).