tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate

C16H19N3O2 — CID 140874182

IUPACtert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccnc(N)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-13-6-4-11(5-7-13)12-8-9-18-14(17)10-12/h4-10H,1-3H3,(H2,17,18)(H,19,20)
InChIKeyVIWHXLNUGSACNF-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.68
Rot. Bonds2

About tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate

tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate (PubChem CID 140874182) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
PubChem CID140874182
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccnc(N)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-13-6-4-11(5-7-13)12-8-9-18-14(17)10-12/h4-10H,1-3H3,(H2,17,18)(H,19,20)
InChIKeyVIWHXLNUGSACNF-UHFFFAOYSA-N
XLogP3.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate
CID 72705111
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
tert-butyl N-[3-amino-5-(4-aminophenyl)phenyl]carbamate
CID 68784282
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
CID 156541095
methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate
CID 71064947
tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
CID 46854610
tert-butyl N-[4-(2-deuteriopyrimidin-4-yl)phenyl]carbamate
CID 175733927

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate (CID 140874182) is tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccnc(N)c2)cc1.
What is the InChIKey of tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate?
The InChIKey is VIWHXLNUGSACNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-13-6-4-11(5-7-13)12-8-9-18-14(17)10-12/h4-10H,1-3H3,(H2,17,18)(H,19,20).
What are the key properties of tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate?
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate has a molecular weight of 285.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate is sourced from PubChem (CID 140874182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).