3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide

C16H20N6O3 — CID 154851372

IUPAC3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1n[nH]nc1C(=O)N1CCCC1)N1CCC(c2ccco2)C1
InChIInChI=1S/C16H20N6O3/c23-15(21-6-1-2-7-21)13-14(19-20-18-13)17-16(24)22-8-5-11(10-22)12-4-3-9-25-12/h3-4,9,11H,1-2,5-8,10H2,(H2,17,18,19,20,24)
InChIKeyBZRIKJLPFXYWRD-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.66
Rot. Bonds3

About 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide

3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 154851372) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID154851372
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1n[nH]nc1C(=O)N1CCCC1)N1CCC(c2ccco2)C1
InChIInChI=1S/C16H20N6O3/c23-15(21-6-1-2-7-21)13-14(19-20-18-13)17-16(24)22-8-5-11(10-22)12-4-3-9-25-12/h3-4,9,11H,1-2,5-8,10H2,(H2,17,18,19,20,24)
InChIKeyBZRIKJLPFXYWRD-UHFFFAOYSA-N
XLogP1.66
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
CID 134368012
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
CID 167842655
N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide
CID 154842455
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
CID 110421538
[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110667359
2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 110603811
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide (CID 154851372) is 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide is O=C(Nc1n[nH]nc1C(=O)N1CCCC1)N1CCC(c2ccco2)C1.
What is the InChIKey of 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is BZRIKJLPFXYWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c23-15(21-6-1-2-7-21)13-14(19-20-18-13)17-16(24)22-8-5-11(10-22)12-4-3-9-25-12/h3-4,9,11H,1-2,5-8,10H2,(H2,17,18,19,20,24).
What are the key properties of 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide?
3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154851372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).