N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide

C20H21N5O3 — CID 156604964

IUPACN-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)c2ccc(-n3cnnc3)cc2)CC1c1ccc(C)o1
InChIInChI=1S/C20H21N5O3/c1-13-3-8-19(28-13)17-9-24(10-18(17)23-14(2)26)20(27)15-4-6-16(7-5-15)25-11-21-22-12-25/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,23,26)
InChIKeyRMMCEYKHTFVQSY-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.91
Rot. Bonds4

About N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide

N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 156604964) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID156604964
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)c2ccc(-n3cnnc3)cc2)CC1c1ccc(C)o1
InChIInChI=1S/C20H21N5O3/c1-13-3-8-19(28-13)17-9-24(10-18(17)23-14(2)26)20(27)15-4-6-16(7-5-15)25-11-21-22-12-25/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,23,26)
InChIKeyRMMCEYKHTFVQSY-UHFFFAOYSA-N
XLogP1.91
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 133127076
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide
CID 70757234
N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 72844670
N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70766709
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide
CID 70781931
N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide
CID 156606543
N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 72877340
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70754891
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70773384
N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70723311
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 72919150

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide (CID 156604964) is N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CN(C(=O)c2ccc(-n3cnnc3)cc2)CC1c1ccc(C)o1.
What is the InChIKey of N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RMMCEYKHTFVQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-3-8-19(28-13)17-9-24(10-18(17)23-14(2)26)20(27)15-4-6-16(7-5-15)25-11-21-22-12-25/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide?
N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156604964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).