1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide

C16H24N4O — CID 56870713

IUPAC1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C16H24N4O/c1-2-17-15(21)13-8-10-20(11-13)16-18-9-7-14(19-16)12-5-3-4-6-12/h7,9,12-13H,2-6,8,10-11H2,1H3,(H,17,21)
InChIKeyCANJAINYVBZVNJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide

1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide (PubChem CID 56870713) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
PubChem CID56870713
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C16H24N4O/c1-2-17-15(21)13-8-10-20(11-13)16-18-9-7-14(19-16)12-5-3-4-6-12/h7,9,12-13H,2-6,8,10-11H2,1H3,(H,17,21)
InChIKeyCANJAINYVBZVNJ-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide (CID 56870713) is 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2nccc(C3CCCC3)n2)C1.
What is the InChIKey of 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is CANJAINYVBZVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-17-15(21)13-8-10-20(11-13)16-18-9-7-14(19-16)12-5-3-4-6-12/h7,9,12-13H,2-6,8,10-11H2,1H3,(H,17,21).
What are the key properties of 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56870713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).