pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate

C21H20N4O3 — CID 22668203

IUPACpyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C21H20N4O3/c22-18-6-1-2-7-19(18)25-20(26)16-10-8-15(9-11-16)13-24-21(27)28-14-17-5-3-4-12-23-17/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
InChIKeyVJVGSNWYLNTHDY-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.34
Rot. Bonds6

About pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate

pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 22668203) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID22668203
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namepyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C21H20N4O3/c22-18-6-1-2-7-19(18)25-20(26)16-10-8-15(9-11-16)13-24-21(27)28-14-17-5-3-4-12-23-17/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
InChIKeyVJVGSNWYLNTHDY-UHFFFAOYSA-N
XLogP3.34
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]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 pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate (CID 22668203) is pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate is Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1.
What is the InChIKey of pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is VJVGSNWYLNTHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c22-18-6-1-2-7-19(18)25-20(26)16-10-8-15(9-11-16)13-24-21(27)28-14-17-5-3-4-12-23-17/h1-12H,13-14,22H2,(H,24,27)(H,25,26).
What are the key properties of pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?
pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 376.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 22668203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).