tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate

C16H18N2O3 — CID 53218281

IUPACtert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-13-7-4-11(5-8-13)12-6-9-14(19)17-10-12/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyFQFBQZHSVVNPEA-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate

tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate (PubChem CID 53218281) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
PubChem CID53218281
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nametert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-13-7-4-11(5-8-13)12-6-9-14(19)17-10-12/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyFQFBQZHSVVNPEA-UHFFFAOYSA-N
XLogP3.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]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-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
CID 122200238
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate
CID 122200488
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-[4-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)phenyl]carbamate
CID 68939473
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate (CID 53218281) is tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
The InChIKey is FQFBQZHSVVNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-13-7-4-11(5-8-13)12-6-9-14(19)17-10-12/h4-10H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate is sourced from PubChem (CID 53218281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).