1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C16H24N4O — CID 110098709

IUPAC1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1CC1CCCCC1
InChIInChI=1S/C16H24N4O/c17-15(21)16(14-11-18-8-9-19-14)7-4-10-20(16)12-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H2,17,21)
InChIKeyGRWBQBGTWJGDCR-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.83
Rot. Bonds4

About 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 110098709) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID110098709
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1CC1CCCCC1
InChIInChI=1S/C16H24N4O/c17-15(21)16(14-11-18-8-9-19-14)7-4-10-20(16)12-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H2,17,21)
InChIKeyGRWBQBGTWJGDCR-UHFFFAOYSA-N
XLogP1.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 110098709) is 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GRWBQBGTWJGDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-15(21)16(14-11-18-8-9-19-14)7-4-10-20(16)12-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H2,17,21).
What are the key properties of 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110098709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).