tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate

C16H24N2O4 — CID 104856519

IUPACtert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate
SMILESCOCCC(CC(=O)c1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-13(7-10-21-4)11-14(19)12-5-8-17-9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,18,20)
InChIKeyXLHVJOYTDFXPCR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.58
Rot. Bonds7

About tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate

tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate (PubChem CID 104856519) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate
PubChem CID104856519
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate
SMILESCOCCC(CC(=O)c1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-13(7-10-21-4)11-14(19)12-5-8-17-9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,18,20)
InChIKeyXLHVJOYTDFXPCR-UHFFFAOYSA-N
XLogP2.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(3-fluorophenyl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104855146
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104855208
tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104856607
tert-butyl N-[1-(5-bromothiophen-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104856528
tert-butyl N-[4-(4-cyanophenyl)-1-methoxy-4-oxobutan-2-yl]carbamate
CID 104855131
tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate
CID 71508348
tert-butyl N-[4-(3-chloro-4-fluorophenyl)-1-methoxy-4-oxobutan-2-yl]carbamate
CID 104855079
tert-butyl N-[4-(2-bromophenyl)-1-methoxy-4-oxobutan-2-yl]carbamate
CID 104855081
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 107250270
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(pyridine-4-carbonyl)pentanedioic acid
CID 91319275
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid
CID 71508404

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate (CID 104856519) is tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate is COCCC(CC(=O)c1ccncc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate?
The InChIKey is XLHVJOYTDFXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-13(7-10-21-4)11-14(19)12-5-8-17-9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate?
tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate is sourced from PubChem (CID 104856519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).