N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C19H28N4O2 — CID 71865145

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCOC1CC(NC(=O)C2CCCN2c2ncccn2)C12CCCC2
InChIInChI=1S/C19H28N4O2/c1-2-25-16-13-15(19(16)8-3-4-9-19)22-17(24)14-7-5-12-23(14)18-20-10-6-11-21-18/h6,10-11,14-16H,2-5,7-9,12-13H2,1H3,(H,22,24)
InChIKeyBDQFZTIKYWLLPI-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.30
Rot. Bonds5

About N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 71865145) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID71865145
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCOC1CC(NC(=O)C2CCCN2c2ncccn2)C12CCCC2
InChIInChI=1S/C19H28N4O2/c1-2-25-16-13-15(19(16)8-3-4-9-19)22-17(24)14-7-5-12-23(14)18-20-10-6-11-21-18/h6,10-11,14-16H,2-5,7-9,12-13H2,1H3,(H,22,24)
InChIKeyBDQFZTIKYWLLPI-UHFFFAOYSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 71865145) is N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CCOC1CC(NC(=O)C2CCCN2c2ncccn2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is BDQFZTIKYWLLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-25-16-13-15(19(16)8-3-4-9-19)22-17(24)14-7-5-12-23(14)18-20-10-6-11-21-18/h6,10-11,14-16H,2-5,7-9,12-13H2,1H3,(H,22,24).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71865145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).