tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate

C12H16N2O4 — CID 155774608

IUPACtert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate
SMILESCOc1ccncc1C(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-10(15)8-7-13-6-5-9(8)17-4/h5-7H,1-4H3,(H,14,15,16)
InChIKeyHIFDYCTZZIOKKH-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.76
Rot. Bonds2

About tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate

tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate (PubChem CID 155774608) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate
PubChem CID155774608
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nametert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate
SMILESCOc1ccncc1C(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-10(15)8-7-13-6-5-9(8)17-4/h5-7H,1-4H3,(H,14,15,16)
InChIKeyHIFDYCTZZIOKKH-UHFFFAOYSA-N
XLogP1.76
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxypyridine-3-carboxylate
CID 26119064
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
formic acid;4-methoxypyridine-3-carboxamide
CID 67982292
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
CID 102304584
tert-butyl N-[[3-(trifluoromethyl)pyridine-4-carbonyl]amino]carbamate
CID 175174344
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride
CID 178103167
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate (CID 155774608) is tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate is COc1ccncc1C(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate?
The InChIKey is HIFDYCTZZIOKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-10(15)8-7-13-6-5-9(8)17-4/h5-7H,1-4H3,(H,14,15,16).
What are the key properties of tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate?
tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate has a molecular weight of 252.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate is sourced from PubChem (CID 155774608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).