(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide

C22H25N5O2 — CID 140929068

IUPAC(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C22H25N5O2/c1-23-22(29)17-8-9-26(13-17)20-10-21(28)25(2)15-19(20)18-11-24-27(14-18)12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,23,29)/t17-/m0/s1
InChIKeyQYKSFXYKYDPLCS-KRWDZBQOSA-N
MW391.48 g/mol
LogP1.87
Rot. Bonds5

About (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide

(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 140929068) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID140929068
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C22H25N5O2/c1-23-22(29)17-8-9-26(13-17)20-10-21(28)25(2)15-19(20)18-11-24-27(14-18)12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,23,29)/t17-/m0/s1
InChIKeyQYKSFXYKYDPLCS-KRWDZBQOSA-N
XLogP1.87
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-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

Related Compounds

(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide
CID 135355563
N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 135355362
(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide
CID 146551927
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
5-(1-benzylpyrazol-4-yl)-1-methyl-4-methylsulfonylpyridin-2-one
CID 140929105
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
CID 135355345
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
5-(1-benzylpyrazol-4-yl)-4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]-1-methylpyridin-2-one
CID 146627596
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 124507659
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
1-methyl-5-[1-(methylsulfonylmethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
CID 135355336

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide (CID 140929068) is (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is QYKSFXYKYDPLCS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-23-22(29)17-8-9-26(13-17)20-10-21(28)25(2)15-19(20)18-11-24-27(14-18)12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,23,29)/t17-/m0/s1.
What are the key properties of (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide?
(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 140929068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).