2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid

C13H14N4O3 — CID 114324547

IUPAC2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCn1ccnc(NCc2cc(C(=O)O)ccn2)c1=O
InChIInChI=1S/C13H14N4O3/c1-2-17-6-5-15-11(12(17)18)16-8-10-7-9(13(19)20)3-4-14-10/h3-7H,2,8H2,1H3,(H,15,16)(H,19,20)
InChIKeyQBRYXIOUQTYTSM-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.97
Rot. Bonds5

About 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid

2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324547) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324547
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCn1ccnc(NCc2cc(C(=O)O)ccn2)c1=O
InChIInChI=1S/C13H14N4O3/c1-2-17-6-5-15-11(12(17)18)16-8-10-7-9(13(19)20)3-4-14-10/h3-7H,2,8H2,1H3,(H,15,16)(H,19,20)
InChIKeyQBRYXIOUQTYTSM-UHFFFAOYSA-N
XLogP0.97
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid (CID 114324547) is 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid is CCn1ccnc(NCc2cc(C(=O)O)ccn2)c1=O.
What is the InChIKey of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is QBRYXIOUQTYTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-17-6-5-15-11(12(17)18)16-8-10-7-9(13(19)20)3-4-14-10/h3-7H,2,8H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).