tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate

C16H24N2O3 — CID 102539098

IUPACtert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
SMILESCc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H24N2O3/c1-12-8-9-13(11-18-12)14(19)7-5-6-10-17-15(20)21-16(2,3)4/h8-9,11H,5-7,10H2,1-4H3,(H,17,20)
InChIKeyBAPFWWAGELZULW-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate

tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate (PubChem CID 102539098) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
PubChem CID102539098
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
SMILESCc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H24N2O3/c1-12-8-9-13(11-18-12)14(19)7-5-6-10-17-15(20)21-16(2,3)4/h8-9,11H,5-7,10H2,1-4H3,(H,17,20)
InChIKeyBAPFWWAGELZULW-UHFFFAOYSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
CID 102539652
tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102540471
tert-butyl N-[5-[6-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541843
tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102543063
tert-butyl N-cyclopropyl-N-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102541114
tert-butyl N-[4-[4-(chloromethyl)phenyl]-4-oxobutyl]carbamate
CID 159100091
tert-butyl N-[5-(4-chloro-3-fluorophenyl)-5-oxopentyl]carbamate
CID 68756949
tert-butyl N-[5-(2-ethoxy-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539404
tert-butyl N-[5-(2-tert-butylsulfanyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102542254
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate
CID 102543130
methyl 4-iodobenzoate;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]benzoate
CID 158487342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate (CID 102539098) is tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate is Cc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate?
The InChIKey is BAPFWWAGELZULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-8-9-13(11-18-12)14(19)7-5-6-10-17-15(20)21-16(2,3)4/h8-9,11H,5-7,10H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate?
tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate is sourced from PubChem (CID 102539098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).