2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide

C19H25N5O2 — CID 166187748

IUPAC2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide
SMILESCc1[nH]ncc1CNC(=O)C(=O)N1CCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C19H25N5O2/c1-14-16(11-21-22-14)10-20-18(25)19(26)24-9-8-17(13-24)23(2)12-15-6-4-3-5-7-15/h3-7,11,17H,8-10,12-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyFEAKIWYMZVFTGN-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.07
Rot. Bonds5

About 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide

2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide (PubChem CID 166187748) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide
PubChem CID166187748
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide
SMILESCc1[nH]ncc1CNC(=O)C(=O)N1CCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C19H25N5O2/c1-14-16(11-21-22-14)10-20-18(25)19(26)24-9-8-17(13-24)23(2)12-15-6-4-3-5-7-15/h3-7,11,17H,8-10,12-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyFEAKIWYMZVFTGN-UHFFFAOYSA-N
XLogP1.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide?
The IUPAC name of 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide (CID 166187748) is 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide is Cc1[nH]ncc1CNC(=O)C(=O)N1CCC(N(C)Cc2ccccc2)C1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide?
The InChIKey is FEAKIWYMZVFTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-16(11-21-22-14)10-20-18(25)19(26)24-9-8-17(13-24)23(2)12-15-6-4-3-5-7-15/h3-7,11,17H,8-10,12-13H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide?
2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide has a molecular weight of 355.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide is sourced from PubChem (CID 166187748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).