tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate

C13H18N2O3 — CID 165468430

IUPACtert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
SMILESCc1ccncc1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-9-5-6-14-7-10(9)11(16)8-15-12(17)18-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyZSFGFAZJCNOHBK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate

tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate (PubChem CID 165468430) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
PubChem CID165468430
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
SMILESCc1ccncc1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-9-5-6-14-7-10(9)11(16)8-15-12(17)18-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyZSFGFAZJCNOHBK-UHFFFAOYSA-N
XLogP2.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate
CID 170489930
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
CID 107249231
tert-butyl N-[2-(2-nitrophenyl)-2-oxoethyl]carbamate
CID 10731418
N-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937
tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
CID 15593546
tert-butyl N-[3-methyl-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]butyl]carbamate
CID 107442879
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
methyl 4-methylpyridine-3-carboxylate
CID 10877301

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate (CID 165468430) is tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate is Cc1ccncc1C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate?
The InChIKey is ZSFGFAZJCNOHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-5-6-14-7-10(9)11(16)8-15-12(17)18-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 165468430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).