tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate

C16H19N3O2 — CID 67289423

IUPACtert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccnc2)cc1N
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-14-7-6-11(9-13(14)17)12-5-4-8-18-10-12/h4-10H,17H2,1-3H3,(H,19,20)
InChIKeyRNGCUHMKMOPYFJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.68
Rot. Bonds2

About tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate

tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate (PubChem CID 67289423) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
PubChem CID67289423
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccnc2)cc1N
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-14-7-6-11(9-13(14)17)12-5-4-8-18-10-12/h4-10H,17H2,1-3H3,(H,19,20)
InChIKeyRNGCUHMKMOPYFJ-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

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate
CID 66619507
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid
CID 59373450
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
tert-butyl N-[5-methyl-2-[[3-oxo-3-(3-pyridin-3-ylphenyl)propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 86589339
tert-butyl N-[4-fluoro-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]carbamate
CID 56571820
tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508644
N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10402952
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate (CID 67289423) is tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cccnc2)cc1N.
What is the InChIKey of tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate?
The InChIKey is RNGCUHMKMOPYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-14-7-6-11(9-13(14)17)12-5-4-8-18-10-12/h4-10H,17H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate?
tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)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-(2-amino-4-pyridin-3-ylphenyl)carbamate is sourced from PubChem (CID 67289423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).