tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate

C18H29N3O2 — CID 178139055

IUPACtert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate
SMILESCCC/C(=C\c1cnc(NC(=O)OC(C)(C)C)cc1C)CNC
InChIInChI=1S/C18H29N3O2/c1-7-8-14(11-19-6)10-15-12-20-16(9-13(15)2)21-17(22)23-18(3,4)5/h9-10,12,19H,7-8,11H2,1-6H3,(H,20,21,22)/b14-10+
InChIKeyHZBDASMECIVSTJ-GXDHUFHOSA-N
MW319.45 g/mol
LogP4.14
Rot. Bonds6

About tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate

tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate (PubChem CID 178139055) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate
PubChem CID178139055
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate
SMILESCCC/C(=C\c1cnc(NC(=O)OC(C)(C)C)cc1C)CNC
InChIInChI=1S/C18H29N3O2/c1-7-8-14(11-19-6)10-15-12-20-16(9-13(15)2)21-17(22)23-18(3,4)5/h9-10,12,19H,7-8,11H2,1-6H3,(H,20,21,22)/b14-10+
InChIKeyHZBDASMECIVSTJ-GXDHUFHOSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992
tert-butyl N-(4-formyl-5-pyridin-4-yl-2-pyridinyl)carbamate
CID 162625012
tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
CID 67357244
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
CID 177139769
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
ethyl (E)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enoate
CID 140772778
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate (CID 178139055) is tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate is CCC/C(=C\c1cnc(NC(=O)OC(C)(C)C)cc1C)CNC.
What is the InChIKey of tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate?
The InChIKey is HZBDASMECIVSTJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-7-8-14(11-19-6)10-15-12-20-16(9-13(15)2)21-17(22)23-18(3,4)5/h9-10,12,19H,7-8,11H2,1-6H3,(H,20,21,22)/b14-10+.
What are the key properties of tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate?
tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-5-[(E)-2-(methylaminomethyl)pent-1-enyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 178139055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).