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

C17H27N3O3 — CID 102543063

IUPACtert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate
SMILESCNc1ncc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C17H27N3O3/c1-12-10-13(11-20-15(12)18-5)14(21)8-6-7-9-19-16(22)23-17(2,3)4/h10-11H,6-9H2,1-5H3,(H,18,20)(H,19,22)
InChIKeyHFLAESJZXVPPIV-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.31
Rot. Bonds7

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

tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate (PubChem CID 102543063) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate
PubChem CID102543063
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate
SMILESCNc1ncc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C17H27N3O3/c1-12-10-13(11-20-15(12)18-5)14(21)8-6-7-9-19-16(22)23-17(2,3)4/h10-11H,6-9H2,1-5H3,(H,18,20)(H,19,22)
InChIKeyHFLAESJZXVPPIV-UHFFFAOYSA-N
XLogP3.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539098
tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate
CID 102543130
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-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate
CID 155787018
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
tert-butyl N-[5-(4-chloro-3-fluorophenyl)-5-oxopentyl]carbamate
CID 68756949
ethyl 5-iodo-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 70296682
tert-butyl N-[4-[4-(chloromethyl)phenyl]-4-oxobutyl]carbamate
CID 159100091
tert-butyl N-(6-oxonon-7-ynyl)carbamate
CID 71375911
tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
CID 101399946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate (CID 102543063) is tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate is CNc1ncc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
The InChIKey is HFLAESJZXVPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-10-13(11-20-15(12)18-5)14(21)8-6-7-9-19-16(22)23-17(2,3)4/h10-11H,6-9H2,1-5H3,(H,18,20)(H,19,22).
What are the key properties of tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate?
tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate is sourced from PubChem (CID 102543063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).