tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate

C15H22N2O3 — CID 91063103

IUPACtert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)CCCc1ccncc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-11-13(18)6-4-5-12-7-9-16-10-8-12/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyXCZUSQOUKCVEDN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.50
Rot. Bonds6

About tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate

tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate (PubChem CID 91063103) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate
PubChem CID91063103
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)CCCc1ccncc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-11-13(18)6-4-5-12-7-9-16-10-8-12/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyXCZUSQOUKCVEDN-UHFFFAOYSA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridin-4-ylprop-2-enoic acid
CID 66935523
tert-butyl N-[3-methyl-2-[(2-pyridin-4-ylethylamino)methyl]butyl]carbamate
CID 107441867
methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]butanoate
CID 155189601
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[2-[4-(4-iodophenyl)butanoylamino]ethyl]carbamate
CID 177072985
6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxohexanoic acid
CID 70436873
4-pyridin-4-ylbutanethioic S-acid
CID 87873315
tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-[2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]sulfanylethyl]carbamate
CID 84557359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate (CID 91063103) is tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate is CC(C)(C)OC(=O)NCC(=O)CCCc1ccncc1.
What is the InChIKey of tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate?
The InChIKey is XCZUSQOUKCVEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-11-13(18)6-4-5-12-7-9-16-10-8-12/h7-10H,4-6,11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate?
tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-5-pyridin-4-ylpentyl)carbamate is sourced from PubChem (CID 91063103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).