tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate

C10H14N2O3 — CID 86811224

IUPACtert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyYISSDDUTPCTXBW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate

tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate (PubChem CID 86811224) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate
PubChem CID86811224
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nametert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyYISSDDUTPCTXBW-UHFFFAOYSA-N
XLogP1.72
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-[(1,6-dihydro-6-oxo-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CID 73010463
tert-Butyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 11138359
Tert-butyl 3-fluoro-2-oxo-1,2-dihydropyridin-4-ylcarbamate
CID 118622100
tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate
CID 168982050
tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate
CID 168982313
tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate
CID 177301397
tert-Butyl (1-(difluoromethyl)-6-oxo-1,6-dihydropyridin-3-yl)carbamate
CID 119004624
Tert-butyl (5-fluoro-6-oxo-1,6-dihydropyridin-3-yl)carbamate
CID 165769954
tert-butyl N-(4-fluoro-6-hydroxypyridin-3-yl)carbamate
CID 165770086
tert-Butyl (1-methyl-6-oxo-1,6-dihydropyridin-3-yl)carbamate
CID 15185799
tert-butyl N-[(2-oxo-1H-pyridin-3-yl)sulfanyl]-N-prop-2-enylcarbamate
CID 22419716
tert-butyl N-(2-hydroxy-5-iodopyridin-3-yl)carbamate
CID 22556017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate (CID 86811224) is tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(=O)[nH]c1.
What is the InChIKey of tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate?
The InChIKey is YISSDDUTPCTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate?
tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate has a molecular weight of 210.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate is sourced from PubChem (CID 86811224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).