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

C12H13N5O — CID 113381971

IUPAC5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(N)cn2)n1
InChIInChI=1S/C12H13N5O/c1-8-3-2-4-9(17-8)5-16-12(18)10-6-15-11(13)7-14-10/h2-4,6-7H,5H2,1H3,(H2,13,15)(H,16,18)
InChIKeySJRGEJXXBARYHV-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.69
Rot. Bonds3

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

5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 113381971) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID113381971
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(N)cn2)n1
InChIInChI=1S/C12H13N5O/c1-8-3-2-4-9(17-8)5-16-12(18)10-6-15-11(13)7-14-10/h2-4,6-7H,5H2,1H3,(H2,13,15)(H,16,18)
InChIKeySJRGEJXXBARYHV-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-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
6-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 62308602
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377156
4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 62323870
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate
CID 138047384

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide (CID 113381971) is 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide is Cc1cccc(CNC(=O)c2cnc(N)cn2)n1.
What is the InChIKey of 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is SJRGEJXXBARYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-3-2-4-9(17-8)5-16-12(18)10-6-15-11(13)7-14-10/h2-4,6-7H,5H2,1H3,(H2,13,15)(H,16,18).
What are the key properties of 5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
5-amino-N-[(6-methyl-2-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-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 113381971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).