pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate

C21H20N4O3 — CID 142789354

IUPACpyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate
SMILESNC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1-c1ccccc1N
InChIInChI=1S/C21H20N4O3/c22-19-6-2-1-5-16(19)18-10-14(7-8-17(18)20(23)26)12-25-21(27)28-13-15-4-3-9-24-11-15/h1-11H,12-13,22H2,(H2,23,26)(H,25,27)
InChIKeyNAARZIYRTRMUDH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.86
Rot. Bonds6

About pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate (PubChem CID 142789354) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate
PubChem CID142789354
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namepyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate
SMILESNC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1-c1ccccc1N
InChIInChI=1S/C21H20N4O3/c22-19-6-2-1-5-16(19)18-10-14(7-8-17(18)20(23)26)12-25-21(27)28-13-15-4-3-9-24-11-15/h1-11H,12-13,22H2,(H2,23,26)(H,25,27)
InChIKeyNAARZIYRTRMUDH-UHFFFAOYSA-N
XLogP2.86
TPSA120.33 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 ≤ 52.86
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

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CID 67397836
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
hexane-2,5-dione;pyridin-3-ylmethyl N-[[4-[2-(2-aminophenyl)acetyl]phenyl]methyl]carbamate
CID 159196791
pyridin-3-ylmethyl N-[[4-[3-(2-aminoanilino)-2-methyl-3-oxopropyl]phenyl]methyl]carbamate
CID 142222178
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but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67399081
(Z)-but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
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benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate;dihydrochloride
CID 89350834
pyridin-3-ylmethyl N-[[4-[(2-amino-4-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10572471
pyridin-3-ylmethyl N-[[4-[(2-amino-5-pyridin-4-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 59737468
pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate
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pyridin-3-ylmethyl N-butylcarbamate
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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate (CID 142789354) is pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate is NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1-c1ccccc1N.
What is the InChIKey of pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate?
The InChIKey is NAARZIYRTRMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c22-19-6-2-1-5-16(19)18-10-14(7-8-17(18)20(23)26)12-25-21(27)28-13-15-4-3-9-24-11-15/h1-11H,12-13,22H2,(H2,23,26)(H,25,27).
What are the key properties of pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate has a molecular weight of 376.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[[3-(2-aminophenyl)-4-carbamoylphenyl]methyl]carbamate is sourced from PubChem (CID 142789354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).