tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate

C11H17N3O2 — CID 133060985

IUPACtert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
SMILESCc1c(N)cncc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O2/c1-7-8(12)5-13-6-9(7)14-10(15)16-11(2,3)4/h5-6H,12H2,1-4H3,(H,14,15)
InChIKeyVQJPQTLUMVIWKO-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.32
Rot. Bonds1

About tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate

tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate (PubChem CID 133060985) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
PubChem CID133060985
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
SMILESCc1c(N)cncc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O2/c1-7-8(12)5-13-6-9(7)14-10(15)16-11(2,3)4/h5-6H,12H2,1-4H3,(H,14,15)
InChIKeyVQJPQTLUMVIWKO-UHFFFAOYSA-N
XLogP2.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-[3-amino-6-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]isoquinolin-8-yl]carbamate
CID 155478479
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283
tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
CID 178174217
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate (CID 133060985) is tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate is Cc1c(N)cncc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate?
The InChIKey is VQJPQTLUMVIWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-8(12)5-13-6-9(7)14-10(15)16-11(2,3)4/h5-6H,12H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate?
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate has a molecular weight of 223.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 133060985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).