5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide

C18H28N6O2 — CID 133260509

IUPAC5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide
SMILESCCC1CC(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)NN1
InChIInChI=1S/C18H28N6O2/c1-2-13-9-16(23-22-13)18(25)21-14-7-12(8-14)15-10-17(20-11-19-15)24-3-5-26-6-4-24/h10-14,16,22-23H,2-9H2,1H3,(H,21,25)
InChIKeyUXXOEUYNVFMZCN-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.32
Rot. Bonds5

About 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide

5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide (PubChem CID 133260509) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide
PubChem CID133260509
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide
SMILESCCC1CC(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)NN1
InChIInChI=1S/C18H28N6O2/c1-2-13-9-16(23-22-13)18(25)21-14-7-12(8-14)15-10-17(20-11-19-15)24-3-5-26-6-4-24/h10-14,16,22-23H,2-9H2,1H3,(H,21,25)
InChIKeyUXXOEUYNVFMZCN-UHFFFAOYSA-N
XLogP0.32
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
CID 91764304
2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56898389
ethyl 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126850161
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide
CID 95871432
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
(4-methylpyrimidin-5-yl)-[(3R)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95867216
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56877905
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide
CID 91773598
1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 126850117
N-(2-hydroxyethyl)-4-[3-(6-morpholin-4-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]benzamide
CID 134822997
N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide
CID 91784647

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide (CID 133260509) is 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide is CCC1CC(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)NN1.
What is the InChIKey of 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide?
The InChIKey is UXXOEUYNVFMZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-2-13-9-16(23-22-13)18(25)21-14-7-12(8-14)15-10-17(20-11-19-15)24-3-5-26-6-4-24/h10-14,16,22-23H,2-9H2,1H3,(H,21,25).
What are the key properties of 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide?
5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 133260509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).