5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide

C13H14N4O — CID 47216134

IUPAC5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(C)cn2)cn1
InChIInChI=1S/C13H14N4O/c1-9-3-4-11(6-14-9)7-17-13(18)12-8-15-10(2)5-16-12/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyZTFCJJPYVSGRTH-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.42
Rot. Bonds3

About 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide

5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 47216134) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID47216134
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(C)cn2)cn1
InChIInChI=1S/C13H14N4O/c1-9-3-4-11(6-14-9)7-17-13(18)12-8-15-10(2)5-16-12/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyZTFCJJPYVSGRTH-UHFFFAOYSA-N
XLogP1.42
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 47216134) is 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide is Cc1ccc(CNC(=O)c2cnc(C)cn2)cn1.
What is the InChIKey of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is ZTFCJJPYVSGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-3-4-11(6-14-9)7-17-13(18)12-8-15-10(2)5-16-12/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47216134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).