pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate

C25H28N2O3 — CID 23354491

IUPACpyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
SMILESO=C(NC(CC(O)CCCc1ccccc1)c1ccccc1)OCc1cccnc1
InChIInChI=1S/C25H28N2O3/c28-23(15-7-11-20-9-3-1-4-10-20)17-24(22-13-5-2-6-14-22)27-25(29)30-19-21-12-8-16-26-18-21/h1-6,8-10,12-14,16,18,23-24,28H,7,11,15,17,19H2,(H,27,29)
InChIKeySQSNQISPCQMDLC-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.82
Rot. Bonds10

About pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate

pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate (PubChem CID 23354491) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
PubChem CID23354491
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Namepyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
SMILESO=C(NC(CC(O)CCCc1ccccc1)c1ccccc1)OCc1cccnc1
InChIInChI=1S/C25H28N2O3/c28-23(15-7-11-20-9-3-1-4-10-20)17-24(22-13-5-2-6-14-22)27-25(29)30-19-21-12-8-16-26-18-21/h1-6,8-10,12-14,16,18,23-24,28H,7,11,15,17,19H2,(H,27,29)
InChIKeySQSNQISPCQMDLC-UHFFFAOYSA-N
XLogP4.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 139888213
tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 19963746
pyridin-3-ylmethyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15234551
2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
CID 18727468
3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid
CID 22903368
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
pyridin-3-ylmethyl N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-phenyl-4-(3-phenylpropylsulfanyl)butan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 11767148
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
methyl 3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoate
CID 22910259
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The IUPAC name of pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate (CID 23354491) is pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate is O=C(NC(CC(O)CCCc1ccccc1)c1ccccc1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The InChIKey is SQSNQISPCQMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-23(15-7-11-20-9-3-1-4-10-20)17-24(22-13-5-2-6-14-22)27-25(29)30-19-21-12-8-16-26-18-21/h1-6,8-10,12-14,16,18,23-24,28H,7,11,15,17,19H2,(H,27,29).
What are the key properties of pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate has a molecular weight of 404.51 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate is sourced from PubChem (CID 23354491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).