(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

C17H21N5O2 — CID 94021481

IUPAC(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1CN1CCCC1=O)n1cncn1
InChIInChI=1S/C17H21N5O2/c1-13(22-12-18-11-20-22)17(24)19-9-14-5-2-3-6-15(14)10-21-8-4-7-16(21)23/h2-3,5-6,11-13H,4,7-10H2,1H3,(H,19,24)/t13-/m1/s1
InChIKeyUQVJXEVXDITLQI-CYBMUJFWSA-N
MW327.39 g/mol
LogP1.28
Rot. Bonds6

About (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94021481) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94021481
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1CN1CCCC1=O)n1cncn1
InChIInChI=1S/C17H21N5O2/c1-13(22-12-18-11-20-22)17(24)19-9-14-5-2-3-6-15(14)10-21-8-4-7-16(21)23/h2-3,5-6,11-13H,4,7-10H2,1H3,(H,19,24)/t13-/m1/s1
InChIKeyUQVJXEVXDITLQI-CYBMUJFWSA-N
XLogP1.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Related Compounds

N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
2-methyl-1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine
CID 111124369
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
(2S)-N-[(2-phenoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94810471
(2S)-2-cyclohexyl-3-oxo-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]propanoic acid
CID 125168722
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 94021481) is (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@H](C(=O)NCc1ccccc1CN1CCCC1=O)n1cncn1.
What is the InChIKey of (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UQVJXEVXDITLQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(22-12-18-11-20-22)17(24)19-9-14-5-2-3-6-15(14)10-21-8-4-7-16(21)23/h2-3,5-6,11-13H,4,7-10H2,1H3,(H,19,24)/t13-/m1/s1.
What are the key properties of (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 327.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94021481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).