N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide

C20H25N5O2 — CID 95725024

IUPACN-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
SMILESCCN1C[C@@H](CN(C)C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1=O
InChIInChI=1S/C20H25N5O2/c1-3-24-14-17(12-19(24)26)13-23(2)20(27)18-15-25(22-21-18)11-7-10-16-8-5-4-6-9-16/h4-10,15,17H,3,11-14H2,1-2H3/b10-7+/t17-/m1/s1
InChIKeyJLJNEYMLWQKGEZ-PYUISTEWSA-N
MW367.45 g/mol
LogP1.93
Rot. Bonds7

About N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide

N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide (PubChem CID 95725024) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
PubChem CID95725024
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
SMILESCCN1C[C@@H](CN(C)C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1=O
InChIInChI=1S/C20H25N5O2/c1-3-24-14-17(12-19(24)26)13-23(2)20(27)18-15-25(22-21-18)11-7-10-16-8-5-4-6-9-16/h4-10,15,17H,3,11-14H2,1-2H3/b10-7+/t17-/m1/s1
InChIKeyJLJNEYMLWQKGEZ-PYUISTEWSA-N
XLogP1.93
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The IUPAC name of N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide (CID 95725024) is N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide is CCN1C[C@@H](CN(C)C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1=O.
What is the InChIKey of N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The InChIKey is JLJNEYMLWQKGEZ-PYUISTEWSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-24-14-17(12-19(24)26)13-23(2)20(27)18-15-25(22-21-18)11-7-10-16-8-5-4-6-9-16/h4-10,15,17H,3,11-14H2,1-2H3/b10-7+/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide is sourced from PubChem (CID 95725024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).