(2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide

C17H24N6O3 — CID 56758048

IUPAC(2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3ccco3)nn2)CN1
InChIInChI=1S/C17H24N6O3/c1-11(2)19-16(24)14-7-13(8-18-14)23-10-12(20-21-23)9-22(3)17(25)15-5-4-6-26-15/h4-6,10-11,13-14,18H,7-9H2,1-3H3,(H,19,24)/t13-,14+/m1/s1
InChIKeyPZENKRSHLAELAC-KGLIPLIRSA-N
MW360.42 g/mol
LogP0.57
Rot. Bonds6

About (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56758048) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56758048
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name(2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3ccco3)nn2)CN1
InChIInChI=1S/C17H24N6O3/c1-11(2)19-16(24)14-7-13(8-18-14)23-10-12(20-21-23)9-22(3)17(25)15-5-4-6-26-15/h4-6,10-11,13-14,18H,7-9H2,1-3H3,(H,19,24)/t13-,14+/m1/s1
InChIKeyPZENKRSHLAELAC-KGLIPLIRSA-N
XLogP0.57
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56758048) is (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3ccco3)nn2)CN1.
What is the InChIKey of (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PZENKRSHLAELAC-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11(2)19-16(24)14-7-13(8-18-14)23-10-12(20-21-23)9-22(3)17(25)15-5-4-6-26-15/h4-6,10-11,13-14,18H,7-9H2,1-3H3,(H,19,24)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[4-[[furan-2-carbonyl(methyl)amino]methyl]triazol-1-yl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56758048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).