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

C12H12N4O — CID 154604764

IUPAC3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(Cc2nccnc2C(N)=O)nc1
InChIInChI=1S/C12H12N4O/c1-8-2-3-9(16-7-8)6-10-11(12(13)17)15-5-4-14-10/h2-5,7H,6H2,1H3,(H2,13,17)
InChIKeyAHHHCBXEQWXDJP-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.87
Rot. Bonds3

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

3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 154604764) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID154604764
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(Cc2nccnc2C(N)=O)nc1
InChIInChI=1S/C12H12N4O/c1-8-2-3-9(16-7-8)6-10-11(12(13)17)15-5-4-14-10/h2-5,7H,6H2,1H3,(H2,13,17)
InChIKeyAHHHCBXEQWXDJP-UHFFFAOYSA-N
XLogP0.87
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide (CID 154604764) is 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide is Cc1ccc(Cc2nccnc2C(N)=O)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is AHHHCBXEQWXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-2-3-9(16-7-8)6-10-11(12(13)17)15-5-4-14-10/h2-5,7H,6H2,1H3,(H2,13,17).
What are the key properties of 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 154604764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).