N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide

C15H22F2N6O3 — CID 171144351

IUPACN-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC(F)(F)CC1Cn1cc(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C15H22F2N6O3/c1-2-18-14(25)23-10-15(16,17)7-11(23)8-22-9-12(19-20-22)13(24)21-3-5-26-6-4-21/h9,11H,2-8,10H2,1H3,(H,18,25)
InChIKeyIGXGRWVSTHDGMP-UHFFFAOYSA-N
MW372.38 g/mol
LogP0.19
Rot. Bonds4

About N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide

N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 171144351) has the molecular formula C15H22F2N6O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID171144351
Molecular FormulaC15H22F2N6O3
Molecular Weight372.38 g/mol
Exact Mass372.17
IUPAC NameN-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC(F)(F)CC1Cn1cc(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C15H22F2N6O3/c1-2-18-14(25)23-10-15(16,17)7-11(23)8-22-9-12(19-20-22)13(24)21-3-5-26-6-4-21/h9,11H,2-8,10H2,1H3,(H,18,25)
InChIKeyIGXGRWVSTHDGMP-UHFFFAOYSA-N
XLogP0.19
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 171144365
[4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 171144352
1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide
CID 171144326
1-[[4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 171144373
[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 95791836
N-benzyl-1-[[4,4-difluoro-1-[2-(tetrazol-1-yl)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171144417
[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952364
4-tert-butyl-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide
CID 42363016
N-benzyl-1-[[1-(ethylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171148773
1-[[1-(4-ethylphenyl)sulfonyl-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide
CID 171144322
[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone
CID 16671265
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 46950587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide (CID 171144351) is N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide is CCNC(=O)N1CC(F)(F)CC1Cn1cc(C(=O)N2CCOCC2)nn1.
What is the InChIKey of N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is IGXGRWVSTHDGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N6O3/c1-2-18-14(25)23-10-15(16,17)7-11(23)8-22-9-12(19-20-22)13(24)21-3-5-26-6-4-21/h9,11H,2-8,10H2,1H3,(H,18,25).
What are the key properties of N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide?
N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 171144351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).