(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C17H21N5O3 — CID 94122457

IUPAC(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C17H21N5O3/c1-3-21-11-19-20-15(21)9-18-17(24)12-7-16(23)22(10-12)13-5-4-6-14(8-13)25-2/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,18,24)/t12-/m1/s1
InChIKeyFJMZKLWLXSHHMK-GFCCVEGCSA-N
MW343.39 g/mol
LogP0.98
Rot. Bonds6

About (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94122457) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94122457
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C17H21N5O3/c1-3-21-11-19-20-15(21)9-18-17(24)12-7-16(23)22(10-12)13-5-4-6-14(8-13)25-2/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,18,24)/t12-/m1/s1
InChIKeyFJMZKLWLXSHHMK-GFCCVEGCSA-N
XLogP0.98
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(3-ethylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94122507
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559152
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
1-(3-methoxyphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90569595
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
(3R)-N-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376315
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55559017

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 94122457) is (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1.
What is the InChIKey of (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FJMZKLWLXSHHMK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-21-11-19-20-15(21)9-18-17(24)12-7-16(23)22(10-12)13-5-4-6-14(8-13)25-2/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,18,24)/t12-/m1/s1.
What are the key properties of (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94122457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).