5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide

C12H13N5O — CID 107377156

IUPAC5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccncc1CNC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H13N5O/c1-8-2-3-14-4-9(8)5-17-12(18)10-6-16-11(13)7-15-10/h2-4,6-7H,5H2,1H3,(H2,13,16)(H,17,18)
InChIKeyGZBAZZLUHPPSEC-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.69
Rot. Bonds3

About 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide

5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 107377156) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID107377156
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccncc1CNC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H13N5O/c1-8-2-3-14-4-9(8)5-17-12(18)10-6-16-11(13)7-15-10/h2-4,6-7H,5H2,1H3,(H2,13,16)(H,17,18)
InChIKeyGZBAZZLUHPPSEC-UHFFFAOYSA-N
XLogP0.69
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377154
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107036589
5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113381971
2-amino-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955918
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 114954310
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 107377156) is 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide is Cc1ccncc1CNC(=O)c1cnc(N)cn1.
What is the InChIKey of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is GZBAZZLUHPPSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-2-3-14-4-9(8)5-17-12(18)10-6-16-11(13)7-15-10/h2-4,6-7H,5H2,1H3,(H2,13,16)(H,17,18).
What are the key properties of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107377156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).