tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate

C15H24IN3O2 — CID 58464113

IUPACtert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate
SMILESCC(C)(CCNc1ccc(I)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24IN3O2/c1-14(2,3)21-13(20)19-15(4,5)8-9-17-12-7-6-11(16)10-18-12/h6-7,10H,8-9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyJXPGHMMHNMMAFH-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate

tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate (PubChem CID 58464113) has the molecular formula C15H24IN3O2 and a molecular weight of 405.28 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate
PubChem CID58464113
Molecular FormulaC15H24IN3O2
Molecular Weight405.28 g/mol
Exact Mass405.09
IUPAC Nametert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate
SMILESCC(C)(CCNc1ccc(I)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24IN3O2/c1-14(2,3)21-13(20)19-15(4,5)8-9-17-12-7-6-11(16)10-18-12/h6-7,10H,8-9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyJXPGHMMHNMMAFH-UHFFFAOYSA-N
XLogP3.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
CID 71985351
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
methyl 2-fluoro-5-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]benzoate
CID 112753858
tert-butyl N-[3-[(5-iodopyrimidin-2-yl)amino]propyl]carbamate
CID 104843546
tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
CID 133062885
tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate
CID 86625175
tert-butyl N-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 177054913
3-amino-4-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]benzoic acid
CID 58878822
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[4-[1-(4-bromophenyl)propylamino]-2-methylbutan-2-yl]carbamate
CID 112753850
tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
CID 51441490

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate (CID 58464113) is tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate is CC(C)(CCNc1ccc(I)cn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate?
The InChIKey is JXPGHMMHNMMAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O2/c1-14(2,3)21-13(20)19-15(4,5)8-9-17-12-7-6-11(16)10-18-12/h6-7,10H,8-9H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate?
tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate has a molecular weight of 405.28 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 58464113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).