tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate

C14H19N3O3 — CID 67103421

IUPACtert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2ccccn2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O3/c1-14(2,3)20-12(18)10-9-17(13(19)16(10)4)11-7-5-6-8-15-11/h5-8,10H,9H2,1-4H3
InChIKeyMRAJMWVUJXLSSR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds2

About tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate

tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate (PubChem CID 67103421) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate
PubChem CID67103421
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nametert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2ccccn2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O3/c1-14(2,3)20-12(18)10-9-17(13(19)16(10)4)11-7-5-6-8-15-11/h5-8,10H,9H2,1-4H3
InChIKeyMRAJMWVUJXLSSR-UHFFFAOYSA-N
XLogP1.66
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate
CID 67103400
tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate
CID 67103397
tert-butyl 2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 74946314
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
7-methyl-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163037878
tert-butyl 3-pyridin-2-yl-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 71924163
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
CID 166113013
4-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylpiperidine-2-carboxamide
CID 173092613
tert-butyl 1-methyl-4,5-dioxopyrrolidine-3-carboxylate
CID 178132419
5-methyl-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 102338604

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate (CID 67103421) is tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate is CN1C(=O)N(c2ccccn2)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate?
The InChIKey is MRAJMWVUJXLSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,3)20-12(18)10-9-17(13(19)16(10)4)11-7-5-6-8-15-11/h5-8,10H,9H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate?
tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate is sourced from PubChem (CID 67103421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).