tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate

C13H17ClN2O3 — CID 159769614

IUPACtert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-8-11(17)6-10-5-4-9(14)7-15-10/h4-5,7H,6,8H2,1-3H3,(H,16,18)
InChIKeyNFYIZAUPCJSZQY-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.37
Rot. Bonds4

About tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate

tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate (PubChem CID 159769614) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate
PubChem CID159769614
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nametert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-8-11(17)6-10-5-4-9(14)7-15-10/h4-5,7H,6,8H2,1-3H3,(H,16,18)
InChIKeyNFYIZAUPCJSZQY-UHFFFAOYSA-N
XLogP2.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate
CID 159313712
tert-butyl N-[3-(3-chlorophenyl)-2-oxopropyl]carbamate
CID 59029504
(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625
tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen
CID 143562529
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
CID 59029475
tert-butyl N-[3-(3-methylphenyl)-2-oxopropyl]carbamate
CID 59029479
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[2-(chloromethylidene)-3-(4-chlorophenyl)butyl]carbamate
CID 173036156
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate (CID 159769614) is tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Cc1ccc(Cl)cn1.
What is the InChIKey of tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?
The InChIKey is NFYIZAUPCJSZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-8-11(17)6-10-5-4-9(14)7-15-10/h4-5,7H,6,8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?
tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate has a molecular weight of 284.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate is sourced from PubChem (CID 159769614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).