tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate

C18H20N2O3 — CID 101149304

IUPACtert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20(13-14-8-5-4-6-9-14)16(21)15-10-7-11-19-12-15/h4-12H,13H2,1-3H3
InChIKeyADXYXWAOMXCJFZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate

tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate (PubChem CID 101149304) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
PubChem CID101149304
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nametert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20(13-14-8-5-4-6-9-14)16(21)15-10-7-11-19-12-15/h4-12H,13H2,1-3H3
InChIKeyADXYXWAOMXCJFZ-UHFFFAOYSA-N
XLogP3.66
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-benzyl-N-(pyridine-3-carbonyl)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

tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
CID 91938097
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
tert-butyl N-benzyl-N-(4-nitrobenzoyl)carbamate
CID 10450911
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
tert-butyl N-[benzoyl(benzyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030176
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate (CID 101149304) is tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1cccnc1.
What is the InChIKey of tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate?
The InChIKey is ADXYXWAOMXCJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20(13-14-8-5-4-6-9-14)16(21)15-10-7-11-19-12-15/h4-12H,13H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate?
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate has a molecular weight of 312.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate is sourced from PubChem (CID 101149304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).