pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate

C21H19N3O4 — CID 10474722

IUPACpyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(=O)Nc2ccccc2O)cc1)OCc1cccnc1
InChIInChI=1S/C21H19N3O4/c25-19-6-2-1-5-18(19)24-20(26)17-9-7-15(8-10-17)13-23-21(27)28-14-16-4-3-11-22-12-16/h1-12,25H,13-14H2,(H,23,27)(H,24,26)
InChIKeyUBDYONSSQMDKGM-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.47
Rot. Bonds6

About pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 10474722) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID10474722
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namepyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(=O)Nc2ccccc2O)cc1)OCc1cccnc1
InChIInChI=1S/C21H19N3O4/c25-19-6-2-1-5-18(19)24-20(26)17-9-7-15(8-10-17)13-23-21(27)28-14-16-4-3-11-22-12-16/h1-12,25H,13-14H2,(H,23,27)(H,24,26)
InChIKeyUBDYONSSQMDKGM-UHFFFAOYSA-N
XLogP3.47
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate (CID 10474722) is pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate is O=C(NCc1ccc(C(=O)Nc2ccccc2O)cc1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is UBDYONSSQMDKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19-6-2-1-5-18(19)24-20(26)17-9-7-15(8-10-17)13-23-21(27)28-14-16-4-3-11-22-12-16/h1-12,25H,13-14H2,(H,23,27)(H,24,26).
What are the key properties of pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 377.40 g/mol, XLogP of 3.47, 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-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 10474722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).