3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid

C13H14N4O2 — CID 62701844

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(Cc1ccncc1)c1nccnc1C(=O)O
InChIInChI=1S/C13H14N4O2/c1-2-17(9-10-3-5-14-6-4-10)12-11(13(18)19)15-7-8-16-12/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyLRFAKBKZVIFJOG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.60
Rot. Bonds5

About 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid

3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 62701844) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
PubChem CID62701844
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(Cc1ccncc1)c1nccnc1C(=O)O
InChIInChI=1S/C13H14N4O2/c1-2-17(9-10-3-5-14-6-4-10)12-11(13(18)19)15-7-8-16-12/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyLRFAKBKZVIFJOG-UHFFFAOYSA-N
XLogP1.60
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701675
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
CID 79470984
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
3-(N-ethylanilino)pyrazine-2-carboxylic acid
CID 62710006
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449365
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068120
3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid
CID 62702336

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid (CID 62701844) is 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid is CCN(Cc1ccncc1)c1nccnc1C(=O)O.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is LRFAKBKZVIFJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-17(9-10-3-5-14-6-4-10)12-11(13(18)19)15-7-8-16-12/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid?
3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).