2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid

C13H14N4O2 — CID 114474614

IUPAC2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1ncc(NCc2cc(C(=O)O)ccn2)nc1C
InChIInChI=1S/C13H14N4O2/c1-8-9(2)17-12(7-15-8)16-6-11-5-10(13(18)19)3-4-14-11/h3-5,7H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUDBBJJXDSXMSGM-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.80
Rot. Bonds4

About 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid

2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114474614) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114474614
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1ncc(NCc2cc(C(=O)O)ccn2)nc1C
InChIInChI=1S/C13H14N4O2/c1-8-9(2)17-12(7-15-8)16-6-11-5-10(13(18)19)3-4-14-11/h3-5,7H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUDBBJJXDSXMSGM-UHFFFAOYSA-N
XLogP1.80
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[[(2-methoxycarbonylpyrimidin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324453
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324451
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 79242317
2-[(3-methyl-5-nitroanilino)methyl]pyridine-4-carboxylic acid
CID 115981126
2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325221
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 103385145
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660
2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324501
ethane;2-ethylpyridine-4-carboxylic acid;5-fluoro-6-methylpyridine-3-carboxylic acid
CID 145419435

Frequently Asked Questions

What is the IUPAC name of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid (CID 114474614) is 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid is Cc1ncc(NCc2cc(C(=O)O)ccn2)nc1C.
What is the InChIKey of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is UDBBJJXDSXMSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-9(2)17-12(7-15-8)16-6-11-5-10(13(18)19)3-4-14-11/h3-5,7H,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114474614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).