(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide

C19H22N4O3 — CID 110197022

IUPAC(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2cccnc2)CN1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H22N4O3/c1-13-5-3-6-14(9-13)22-19(25)23-12-16(10-17(23)18(24)20-2)26-15-7-4-8-21-11-15/h3-9,11,16-17H,10,12H2,1-2H3,(H,20,24)(H,22,25)/t16-,17+/m0/s1
InChIKeyAIXXUFQUWTXKIA-DLBZAZTESA-N
MW354.41 g/mol
LogP2.19
Rot. Bonds4

About (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide

(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide (PubChem CID 110197022) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
PubChem CID110197022
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2cccnc2)CN1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H22N4O3/c1-13-5-3-6-14(9-13)22-19(25)23-12-16(10-17(23)18(24)20-2)26-15-7-4-8-21-11-15/h3-9,11,16-17H,10,12H2,1-2H3,(H,20,24)(H,22,25)/t16-,17+/m0/s1
InChIKeyAIXXUFQUWTXKIA-DLBZAZTESA-N
XLogP2.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide 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 (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide (CID 110197022) is (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide is CNC(=O)[C@H]1C[C@H](Oc2cccnc2)CN1C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The InChIKey is AIXXUFQUWTXKIA-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-5-3-6-14(9-13)22-19(25)23-12-16(10-17(23)18(24)20-2)26-15-7-4-8-21-11-15/h3-9,11,16-17H,10,12H2,1-2H3,(H,20,24)(H,22,25)/t16-,17+/m0/s1.
What are the key properties of (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110197022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).