2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide

C11H16N4O — CID 83079723

IUPAC2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ncccn2)CCCN1
InChIInChI=1S/C11H16N4O/c1-2-11(5-3-8-14-11)9(16)15-10-12-6-4-7-13-10/h4,6-7,14H,2-3,5,8H2,1H3,(H,12,13,15,16)
InChIKeyGGPAGTGUVMDTGU-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.95
Rot. Bonds3

About 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide

2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 83079723) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID83079723
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ncccn2)CCCN1
InChIInChI=1S/C11H16N4O/c1-2-11(5-3-8-14-11)9(16)15-10-12-6-4-7-13-10/h4,6-7,14H,2-3,5,8H2,1H3,(H,12,13,15,16)
InChIKeyGGPAGTGUVMDTGU-UHFFFAOYSA-N
XLogP0.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
CID 107625898
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
CID 83073993
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
2-propyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 106973994
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83063260
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83079547
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83080092
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 83079723) is 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ncccn2)CCCN1.
What is the InChIKey of 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GGPAGTGUVMDTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-11(5-3-8-14-11)9(16)15-10-12-6-4-7-13-10/h4,6-7,14H,2-3,5,8H2,1H3,(H,12,13,15,16).
What are the key properties of 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide?
2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83079723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).