2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide

C11H14N4O3 — CID 170715145

IUPAC2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(OC2CCN(CC=O)C2)n1
InChIInChI=1S/C11H14N4O3/c12-10(17)9-1-3-13-11(14-9)18-8-2-4-15(7-8)5-6-16/h1,3,6,8H,2,4-5,7H2,(H2,12,17)
InChIKeyWBUOWOPDNVAQBK-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.77
Rot. Bonds5

About 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide

2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide (PubChem CID 170715145) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
PubChem CID170715145
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(OC2CCN(CC=O)C2)n1
InChIInChI=1S/C11H14N4O3/c12-10(17)9-1-3-13-11(14-9)18-8-2-4-15(7-8)5-6-16/h1,3,6,8H,2,4-5,7H2,(H2,12,17)
InChIKeyWBUOWOPDNVAQBK-UHFFFAOYSA-N
XLogP-0.77
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
The IUPAC name of 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide (CID 170715145) is 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide is NC(=O)c1ccnc(OC2CCN(CC=O)C2)n1.
What is the InChIKey of 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
The InChIKey is WBUOWOPDNVAQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10(17)9-1-3-13-11(14-9)18-8-2-4-15(7-8)5-6-16/h1,3,6,8H,2,4-5,7H2,(H2,12,17).
What are the key properties of 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxoethyl)pyrrolidin-3-yl]oxypyrimidine-4-carboxamide is sourced from PubChem (CID 170715145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).