[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate

C20H25N5O4 — CID 91454115

IUPAC[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)O[C@@H]1CCNC1)c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C20H25N5O4/c1-28-11-10-25(20(27)29-15-8-9-22-13-15)18-7-6-14(12-23-18)19(26)24-17-5-3-2-4-16(17)21/h2-7,12,15,22H,8-11,13,21H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyYINCARVSOSYZTA-OAHLLOKOSA-N
MW399.45 g/mol
LogP1.87
Rot. Bonds7

About [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate

[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate (PubChem CID 91454115) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
PubChem CID91454115
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)O[C@@H]1CCNC1)c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C20H25N5O4/c1-28-11-10-25(20(27)29-15-8-9-22-13-15)18-7-6-14(12-23-18)19(26)24-17-5-3-2-4-16(17)21/h2-7,12,15,22H,8-11,13,21H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyYINCARVSOSYZTA-OAHLLOKOSA-N
XLogP1.87
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate 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 [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate (CID 91454115) is [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate is COCCN(C(=O)O[C@@H]1CCNC1)c1ccc(C(=O)Nc2ccccc2N)cn1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is YINCARVSOSYZTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-28-11-10-25(20(27)29-15-8-9-22-13-15)18-7-6-14(12-23-18)19(26)24-17-5-3-2-4-16(17)21/h2-7,12,15,22H,8-11,13,21H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 399.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 91454115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).