N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C17H21N5O2 — CID 71984444

IUPACN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)N1CCCC1=O
InChIInChI=1S/C17H21N5O2/c1-3-14(22-10-4-5-15(22)23)17(24)19-13-8-6-12(7-9-13)16-18-11(2)20-21-16/h6-9,14H,3-5,10H2,1-2H3,(H,19,24)(H,18,20,21)
InChIKeyTWLDSLQDJLSNJC-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.12
Rot. Bonds5

About N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide

N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 71984444) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID71984444
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)N1CCCC1=O
InChIInChI=1S/C17H21N5O2/c1-3-14(22-10-4-5-15(22)23)17(24)19-13-8-6-12(7-9-13)16-18-11(2)20-21-16/h6-9,14H,3-5,10H2,1-2H3,(H,19,24)(H,18,20,21)
InChIKeyTWLDSLQDJLSNJC-UHFFFAOYSA-N
XLogP2.12
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
N,N-diethyl-2-[4-[2-fluoro-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055719
5-benzyl-N-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 90345427
5-benzyl-N-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 118557066
N-{4-[3-oxo-3-(1-pyrrolidinyl)propyl]phenyl}-1H-1,2,4-triazole-5-carboxamide
CID 654181
1-[[(3-amino-1H-1,2,4-triazol-5-yl)acetyl](ethyl)amino]-N-phenylcyclohexanecarboxamide
CID 1504900
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 2999304
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
5-benzyl-N-[(3S,5R)-5-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130299130
5-benzyl-N-[(3R,5R)-5-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130299219
5-benzyl-N-[(3S,5S)-5-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130299299
5-benzyl-N-[(5R)-5-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130316459

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 71984444) is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)N1CCCC1=O.
What is the InChIKey of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is TWLDSLQDJLSNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-14(22-10-4-5-15(22)23)17(24)19-13-8-6-12(7-9-13)16-18-11(2)20-21-16/h6-9,14H,3-5,10H2,1-2H3,(H,19,24)(H,18,20,21).
What are the key properties of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 327.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 71984444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).