2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid

C13H16N4O2 — CID 62671975

IUPAC2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid
SMILESN#Cc1nccnc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H16N4O2/c14-8-10-12(16-7-6-15-10)17-11(13(18)19)9-4-2-1-3-5-9/h6-7,9,11H,1-5H2,(H,16,17)(H,18,19)
InChIKeyIKLNUYDMDTVPBJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.79
Rot. Bonds4

About 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid

2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid (PubChem CID 62671975) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid
PubChem CID62671975
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid
SMILESN#Cc1nccnc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H16N4O2/c14-8-10-12(16-7-6-15-10)17-11(13(18)19)9-4-2-1-3-5-9/h6-7,9,11H,1-5H2,(H,16,17)(H,18,19)
InChIKeyIKLNUYDMDTVPBJ-UHFFFAOYSA-N
XLogP1.79
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(Difluoromethyl)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 121659230
4-Amino-2-[(6-methylpyrazin-2-yl)amino]octanoic acid
CID 169795048
2-Amino-3-methyl-2-[(6-methylpyrazin-2-yl)amino]heptanoic acid
CID 169795049
(2S)-5,5-dimethyl-2-[(5-methylpyrazin-2-yl)amino]hexanoic acid
CID 172210153
(2S)-5,5-dimethyl-2-[(6-methylpyrazin-2-yl)amino]hexanoic acid
CID 172210157
(2S)-5,5-dimethyl-2-[(3-methylpyrazin-2-yl)amino]hexanoic acid
CID 172210172
2-Cyclohexyl-2-(pyrazin-2-ylamino)acetic acid
CID 54902055
1-[(3-Carbamoylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55103001
7-[(3-Cyanopyrazin-2-yl)amino]heptanoic acid
CID 55104777
2-[(3-Cyanopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 55104823
1-[(3-Cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 55104874
3-[1-(3-Cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid (CID 62671975) is 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid is N#Cc1nccnc1NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid?
The InChIKey is IKLNUYDMDTVPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-10-12(16-7-6-15-10)17-11(13(18)19)9-4-2-1-3-5-9/h6-7,9,11H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid?
2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid has a molecular weight of 260.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 62671975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).