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'}

Analyze N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 43623563
(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 115770837
4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61244571
N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 63818386
(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone
CID 80702244
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103801069
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103861720
N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide
CID 154863408

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).