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

C14H21N3O2 — CID 55222700

IUPAC3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
SMILESCCC1CCC(CNc2nccnc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-10-3-5-11(6-4-10)9-17-13-12(14(18)19)15-7-8-16-13/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGQFZKZQADRLOP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.80
Rot. Bonds5

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

3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 55222700) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
PubChem CID55222700
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
SMILESCCC1CCC(CNc2nccnc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-10-3-5-11(6-4-10)9-17-13-12(14(18)19)15-7-8-16-13/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGQFZKZQADRLOP-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid (CID 55222700) is 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid is CCC1CCC(CNc2nccnc2C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is IGQFZKZQADRLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-10-3-5-11(6-4-10)9-17-13-12(14(18)19)15-7-8-16-13/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 55222700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).