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

C20H18N4O3 — CID 102467936

IUPACpyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C20H18N4O3/c21-17-6-1-2-7-18(17)24-19(25)14-8-10-15(11-9-14)23-20(26)27-13-16-5-3-4-12-22-16/h1-12H,13,21H2,(H,23,26)(H,24,25)
InChIKeyZPHFRROTFCIGNR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.66
Rot. Bonds5

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

pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate (PubChem CID 102467936) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
PubChem CID102467936
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namepyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C20H18N4O3/c21-17-6-1-2-7-18(17)24-19(25)14-8-10-15(11-9-14)23-20(26)27-13-16-5-3-4-12-22-16/h1-12H,13,21H2,(H,23,26)(H,24,25)
InChIKeyZPHFRROTFCIGNR-UHFFFAOYSA-N
XLogP3.66
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide
CID 20786102
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 89183253
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[[6-(pyridin-2-ylmethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide
CID 10300469
N-(2-aminophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006236

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate (CID 102467936) is pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate is Nc1ccccc1NC(=O)c1ccc(NC(=O)OCc2ccccn2)cc1.
What is the InChIKey of pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
The InChIKey is ZPHFRROTFCIGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-17-6-1-2-7-18(17)24-19(25)14-8-10-15(11-9-14)23-20(26)27-13-16-5-3-4-12-22-16/h1-12H,13,21H2,(H,23,26)(H,24,25).
What are the key properties of pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate has a molecular weight of 362.39 g/mol, XLogP of 3.66, 5 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]carbamate is sourced from PubChem (CID 102467936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).