tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate

C15H22N2O2 — CID 170489930

IUPACtert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate
SMILESCc1ccncc1C=CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-12-8-10-16-11-13(12)7-5-6-9-17-14(18)19-15(2,3)4/h5,7-8,10-11H,6,9H2,1-4H3,(H,17,18)
InChIKeyOLADCKVONRDIDW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.32
Rot. Bonds4

About tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate

tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate (PubChem CID 170489930) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate
PubChem CID170489930
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate
SMILESCc1ccncc1C=CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-12-8-10-16-11-13(12)7-5-6-9-17-14(18)19-15(2,3)4/h5,7-8,10-11H,6,9H2,1-4H3,(H,17,18)
InChIKeyOLADCKVONRDIDW-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]pyridine-4-carboxylate
CID 170490904
tert-butyl N-[4-(3-chloro-4-pyridinyl)but-3-enyl]carbamate
CID 170489916
tert-butyl N-[4-(5-chloro-2-methylphenyl)but-3-enyl]carbamate
CID 170489959
tert-butyl N-[4-(5-methoxy-2-methylphenyl)but-3-enyl]carbamate
CID 170490363
tert-butyl N-[4-(4,5-diamino-2-methylphenyl)but-3-enyl]carbamate
CID 170490406
tert-butyl N-[4-(5-chloro-3-methyl-2-pyridinyl)but-3-enyl]carbamate
CID 170490142
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[4-(3,4-difluoro-2-methylphenyl)but-3-enyl]carbamate
CID 170490285
tert-butyl N-[4-(2,6-difluoro-3-pyridinyl)but-3-enyl]carbamate
CID 170490190
tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate
CID 170490610
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate (CID 170489930) is tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate is Cc1ccncc1C=CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate?
The InChIKey is OLADCKVONRDIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-8-10-16-11-13(12)7-5-6-9-17-14(18)19-15(2,3)4/h5,7-8,10-11H,6,9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate?
tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate is sourced from PubChem (CID 170489930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).