tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate

C16H24N2O2 — CID 22144483

IUPACtert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate
SMILESCC(C/C=C/c1cccnc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-13(18(5)15(19)20-16(2,3)4)8-6-9-14-10-7-11-17-12-14/h6-7,9-13H,8H2,1-5H3/b9-6+
InChIKeyPNFWHONOKRKZCD-RMKNXTFCSA-N
MW276.38 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate

tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate (PubChem CID 22144483) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate
PubChem CID22144483
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate
SMILESCC(C/C=C/c1cccnc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-13(18(5)15(19)20-16(2,3)4)8-6-9-14-10-7-11-17-12-14/h6-7,9-13H,8H2,1-5H3/b9-6+
InChIKeyPNFWHONOKRKZCD-RMKNXTFCSA-N
XLogP3.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-(5-pyridin-3-ylpent-4-en-2-yl)carbamate
CID 54198020
tert-butyl N-[5-(3-amino-4-methylphenyl)pent-4-en-2-yl]-N-methylcarbamate
CID 70125787
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid
CID 69352582
tert-butyl N-[(2S)-5-[5-[(3R)-1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]pent-4-en-2-yl]-N-methylcarbamate
CID 154069304
tert-butyl 2-oxo-4-pyridin-3-ylbut-3-enoate
CID 54388748
tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
CID 11481157
[(E)-1-(methylamino)-1-oxo-5-pyridin-3-ylpent-4-en-2-yl]carbamic acid
CID 175536783
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 76940045
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide
CID 167666478
2-[methyl(3-pyridin-3-ylprop-2-enoyl)amino]propanoic acid
CID 76947242

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate (CID 22144483) is tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate is CC(C/C=C/c1cccnc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate?
The InChIKey is PNFWHONOKRKZCD-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(18(5)15(19)20-16(2,3)4)8-6-9-14-10-7-11-17-12-14/h6-7,9-13H,8H2,1-5H3/b9-6+.
What are the key properties of tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate?
tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 22144483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).