tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate

C14H22N2O2 — CID 19871466

IUPACtert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccncc1C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-13(2,3)10-9-15-8-7-11(10)16-12(17)18-14(4,5)6/h7-9H,1-6H3,(H,15,16,17)
InChIKeyFBXBSQHUOBKGSF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.73
Rot. Bonds1

About tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate

tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate (PubChem CID 19871466) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
PubChem CID19871466
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccncc1C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-13(2,3)10-9-15-8-7-11(10)16-12(17)18-14(4,5)6/h7-9H,1-6H3,(H,15,16,17)
InChIKeyFBXBSQHUOBKGSF-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
tert-butyl N-[3-(2-fluoroethyl)-4-pyridinyl]carbamate
CID 86706800
tert-butyl N-[3-(1-chlorocyclopropyl)-4-pyridinyl]carbamate
CID 171497546
tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate
CID 177188563
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]prop-2-enoate
CID 68898452
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234
tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
CID 178174217
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate (CID 19871466) is tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccncc1C(C)(C)C.
What is the InChIKey of tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate?
The InChIKey is FBXBSQHUOBKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,3)10-9-15-8-7-11(10)16-12(17)18-14(4,5)6/h7-9H,1-6H3,(H,15,16,17).
What are the key properties of tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate?
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate is sourced from PubChem (CID 19871466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).