N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C17H21N5O2 — CID 72940772

IUPACN-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C17H21N5O2/c1-21(6-4-13-9-19-20-10-13)17(24)15-7-16(23)22(12-15)11-14-3-2-5-18-8-14/h2-3,5,8-10,15H,4,6-7,11-12H2,1H3,(H,19,20)
InChIKeySNQUJDCMRMHTAT-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.85
Rot. Bonds6

About N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72940772) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72940772
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C17H21N5O2/c1-21(6-4-13-9-19-20-10-13)17(24)15-7-16(23)22(12-15)11-14-3-2-5-18-8-14/h2-3,5,8-10,15H,4,6-7,11-12H2,1H3,(H,19,20)
InChIKeySNQUJDCMRMHTAT-UHFFFAOYSA-N
XLogP0.85
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 72940772) is N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CN(CCc1cn[nH]c1)C(=O)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SNQUJDCMRMHTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(6-4-13-9-19-20-10-13)17(24)15-7-16(23)22(12-15)11-14-3-2-5-18-8-14/h2-3,5,8-10,15H,4,6-7,11-12H2,1H3,(H,19,20).
What are the key properties of N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72940772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).