5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide

C14H16N4O — CID 43601855

IUPAC5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
SMILESCNCc1cccc(NC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C14H16N4O/c1-10-7-17-13(9-16-10)14(19)18-12-5-3-4-11(6-12)8-15-2/h3-7,9,15H,8H2,1-2H3,(H,18,19)
InChIKeyVNOVGJUARJUFRJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.76
Rot. Bonds4

About 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide

5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 43601855) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
PubChem CID43601855
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
SMILESCNCc1cccc(NC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C14H16N4O/c1-10-7-17-13(9-16-10)14(19)18-12-5-3-4-11(6-12)8-15-2/h3-7,9,15H,8H2,1-2H3,(H,18,19)
InChIKeyVNOVGJUARJUFRJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408010
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
CID 46533069
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 47222176
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide (CID 43601855) is 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide is CNCc1cccc(NC(=O)c2cnc(C)cn2)c1.
What is the InChIKey of 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is VNOVGJUARJUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-7-17-13(9-16-10)14(19)18-12-5-3-4-11(6-12)8-15-2/h3-7,9,15H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide?
5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 43601855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).