pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate

C15H15N3O4 — CID 10990261

IUPACpyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(=O)NO)cc1)OCc1cccnc1
InChIInChI=1S/C15H15N3O4/c19-14(18-21)13-5-3-11(4-6-13)9-17-15(20)22-10-12-2-1-7-16-8-12/h1-8,21H,9-10H2,(H,17,20)(H,18,19)
InChIKeyODRTWSVECUXYQO-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.63
Rot. Bonds5

About pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate (PubChem CID 10990261) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
PubChem CID10990261
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namepyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(=O)NO)cc1)OCc1cccnc1
InChIInChI=1S/C15H15N3O4/c19-14(18-21)13-5-3-11(4-6-13)9-17-15(20)22-10-12-2-1-7-16-8-12/h1-8,21H,9-10H2,(H,17,20)(H,18,19)
InChIKeyODRTWSVECUXYQO-UHFFFAOYSA-N
XLogP1.63
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide;methane;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 160960136
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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate (CID 10990261) is pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate is O=C(NCc1ccc(C(=O)NO)cc1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate?
The InChIKey is ODRTWSVECUXYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-14(18-21)13-5-3-11(4-6-13)9-17-15(20)22-10-12-2-1-7-16-8-12/h1-8,21H,9-10H2,(H,17,20)(H,18,19).
What are the key properties of pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate has a molecular weight of 301.30 g/mol, XLogP of 1.63, 5 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-(hydroxycarbamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 10990261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).