6-(pyrazin-2-ylcarbamoylamino)hexanoic acid

C11H16N4O3 — CID 110492246

IUPAC6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Nc1cnccn1
InChIInChI=1S/C11H16N4O3/c16-10(17)4-2-1-3-5-14-11(18)15-9-8-12-6-7-13-9/h6-8H,1-5H2,(H,16,17)(H2,13,14,15,18)
InChIKeyRAUHMADXDCHPFN-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.24
Rot. Bonds7

About 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid

6-(pyrazin-2-ylcarbamoylamino)hexanoic acid (PubChem CID 110492246) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
PubChem CID110492246
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Nc1cnccn1
InChIInChI=1S/C11H16N4O3/c16-10(17)4-2-1-3-5-14-11(18)15-9-8-12-6-7-13-9/h6-8H,1-5H2,(H,16,17)(H2,13,14,15,18)
InChIKeyRAUHMADXDCHPFN-UHFFFAOYSA-N
XLogP1.24
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-(3-hydroxypropyl)-3-pyrazin-2-ylurea
CID 110492118
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
15-[[2-(trifluoromethyl)pyrimidin-5-yl]carbamoylamino]pentadecanoic acid
CID 162455201
6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
CID 61209750
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122089424
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
8-pyrazin-2-yloctanoic acid
CID 67107978

Frequently Asked Questions

What is the IUPAC name of 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid (CID 110492246) is 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)Nc1cnccn1.
What is the InChIKey of 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid?
The InChIKey is RAUHMADXDCHPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(17)4-2-1-3-5-14-11(18)15-9-8-12-6-7-13-9/h6-8H,1-5H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid?
6-(pyrazin-2-ylcarbamoylamino)hexanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrazin-2-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 110492246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).