1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide

C16H23N5O2 — CID 51081168

IUPAC1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ncccn1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H23N5O2/c22-14-10-12(11-21(14)13-4-1-2-5-13)15(23)17-8-9-20-16-18-6-3-7-19-16/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,17,23)(H,18,19,20)
InChIKeyVCUFZMNPKFKHIW-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.80
Rot. Bonds6

About 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 51081168) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID51081168
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ncccn1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H23N5O2/c22-14-10-12(11-21(14)13-4-1-2-5-13)15(23)17-8-9-20-16-18-6-3-7-19-16/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,17,23)(H,18,19,20)
InChIKeyVCUFZMNPKFKHIW-UHFFFAOYSA-N
XLogP0.80
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 51081168) is 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is O=C(NCCNc1ncccn1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VCUFZMNPKFKHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c22-14-10-12(11-21(14)13-4-1-2-5-13)15(23)17-8-9-20-16-18-6-3-7-19-16/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,17,23)(H,18,19,20).
What are the key properties of 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51081168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).