3-pyridin-3-ylpropyl N-benzylcarbamate

C16H18N2O2 — CID 10333345

IUPAC3-pyridin-3-ylpropyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCCc1cccnc1
InChIInChI=1S/C16H18N2O2/c19-16(18-13-15-6-2-1-3-7-15)20-11-5-9-14-8-4-10-17-12-14/h1-4,6-8,10,12H,5,9,11,13H2,(H,18,19)
InChIKeyNAMIDTDDVSWFED-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.94
Rot. Bonds6

About 3-pyridin-3-ylpropyl N-benzylcarbamate

3-pyridin-3-ylpropyl N-benzylcarbamate (PubChem CID 10333345) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl N-benzylcarbamate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl N-benzylcarbamate
PubChem CID10333345
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-pyridin-3-ylpropyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCCc1cccnc1
InChIInChI=1S/C16H18N2O2/c19-16(18-13-15-6-2-1-3-7-15)20-11-5-9-14-8-4-10-17-12-14/h1-4,6-8,10,12H,5,9,11,13H2,(H,18,19)
InChIKeyNAMIDTDDVSWFED-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
3-pyrimidin-4-ylpropyl N-benzylcarbamate
CID 10107235
3-pyridin-3-ylpropyl 2-sulfanylbutanoate
CID 88778268
5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
CID 6711074
[4-[4-(benzylcarbamoyl)phenyl]-2,6-dimethyl-5-(3-pyridin-3-ylpropoxycarbonyloxy)-1,4-dihydropyridin-3-yl] 3-pyridin-3-ylpropyl carbonate
CID 70472718
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185995
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate;dihydrochloride
CID 89350834
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
3-benzyl-1-carbamimidoyl-1-(3-pyridin-3-ylpropyl)urea
CID 57094387

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl N-benzylcarbamate?
The IUPAC name of 3-pyridin-3-ylpropyl N-benzylcarbamate (CID 10333345) is 3-pyridin-3-ylpropyl N-benzylcarbamate.
What is the SMILES notation for 3-pyridin-3-ylpropyl N-benzylcarbamate?
The canonical SMILES for 3-pyridin-3-ylpropyl N-benzylcarbamate is O=C(NCc1ccccc1)OCCCc1cccnc1.
What is the InChIKey of 3-pyridin-3-ylpropyl N-benzylcarbamate?
The InChIKey is NAMIDTDDVSWFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(18-13-15-6-2-1-3-7-15)20-11-5-9-14-8-4-10-17-12-14/h1-4,6-8,10,12H,5,9,11,13H2,(H,18,19).
What are the key properties of 3-pyridin-3-ylpropyl N-benzylcarbamate?
3-pyridin-3-ylpropyl N-benzylcarbamate has a molecular weight of 270.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl N-benzylcarbamate is sourced from PubChem (CID 10333345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).