tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate

C13H20N4O3 — CID 154962683

IUPACtert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate
SMILESCN(C=O)/N=c1/cc(NC(=O)OC(C)(C)C)ccn1C
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)14-10-6-7-16(4)11(8-10)15-17(5)9-18/h6-9H,1-5H3,(H,14,19)/b15-11-
InChIKeyJRISTANQULMHPV-PTNGSMBKSA-N
MW280.33 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate

tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate (PubChem CID 154962683) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate
PubChem CID154962683
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate
SMILESCN(C=O)/N=c1/cc(NC(=O)OC(C)(C)C)ccn1C
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)14-10-6-7-16(4)11(8-10)15-17(5)9-18/h6-9H,1-5H3,(H,14,19)/b15-11-
InChIKeyJRISTANQULMHPV-PTNGSMBKSA-N
XLogP1.28
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
CID 91971207
tert-butyl N-[3-[(1-methyl-2-oxo-4-pyridinyl)amino]-3-oxopropyl]carbamate
CID 154760852
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
CID 90175973
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
CID 90162227
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate
CID 171547007
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
methyl 1-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrrole-2-carboxylate
CID 135385431
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate (CID 154962683) is tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate is CN(C=O)/N=c1/cc(NC(=O)OC(C)(C)C)ccn1C.
What is the InChIKey of tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate?
The InChIKey is JRISTANQULMHPV-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)14-10-6-7-16(4)11(8-10)15-17(5)9-18/h6-9H,1-5H3,(H,14,19)/b15-11-.
What are the key properties of tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate?
tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate has a molecular weight of 280.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate is sourced from PubChem (CID 154962683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).