N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C14H20N4O2 — CID 83216321

IUPACN-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(NOC1CCCC1)C1CCCN1c1ncccn1
InChIInChI=1S/C14H20N4O2/c19-13(17-20-11-5-1-2-6-11)12-7-3-10-18(12)14-15-8-4-9-16-14/h4,8-9,11-12H,1-3,5-7,10H2,(H,17,19)
InChIKeyKTQZGMPKOASFHH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.44
Rot. Bonds4

About N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 83216321) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID83216321
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(NOC1CCCC1)C1CCCN1c1ncccn1
InChIInChI=1S/C14H20N4O2/c19-13(17-20-11-5-1-2-6-11)12-7-3-10-18(12)14-15-8-4-9-16-14/h4,8-9,11-12H,1-3,5-7,10H2,(H,17,19)
InChIKeyKTQZGMPKOASFHH-UHFFFAOYSA-N
XLogP1.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 83216321) is N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is O=C(NOC1CCCC1)C1CCCN1c1ncccn1.
What is the InChIKey of N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is KTQZGMPKOASFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(17-20-11-5-1-2-6-11)12-7-3-10-18(12)14-15-8-4-9-16-14/h4,8-9,11-12H,1-3,5-7,10H2,(H,17,19).
What are the key properties of N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83216321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).