3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid

C12H12N4O2 — CID 114701905

IUPAC3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1cnccc1CNc1nccnc1C(=O)O
InChIInChI=1S/C12H12N4O2/c1-8-6-13-3-2-9(8)7-16-11-10(12(17)18)14-4-5-15-11/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDANCJZHZQVISOP-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.49
Rot. Bonds4

About 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid

3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 114701905) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
PubChem CID114701905
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1cnccc1CNc1nccnc1C(=O)O
InChIInChI=1S/C12H12N4O2/c1-8-6-13-3-2-9(8)7-16-11-10(12(17)18)14-4-5-15-11/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDANCJZHZQVISOP-UHFFFAOYSA-N
XLogP1.49
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 55107887
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
CID 62711505
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide
CID 114700504
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 114702177
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 114700865
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
1-cyclopropyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrazin-2-one
CID 114700807
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 114698510

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid (CID 114701905) is 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid is Cc1cnccc1CNc1nccnc1C(=O)O.
What is the InChIKey of 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is DANCJZHZQVISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-6-13-3-2-9(8)7-16-11-10(12(17)18)14-4-5-15-11/h2-6H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 114701905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).