tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate

C11H17N3O2 — CID 82342800

IUPACtert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
SMILESCc1nc(N)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O2/c1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H2,12,13)(H,14,15)
InChIKeyOEROPWBAYIVYPQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.32
Rot. Bonds1

About tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate

tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate (PubChem CID 82342800) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
PubChem CID82342800
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
SMILESCc1nc(N)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O2/c1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H2,12,13)(H,14,15)
InChIKeyOEROPWBAYIVYPQ-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

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Related Compounds

tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate
CID 66619507
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130453693
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
CID 130471260
3-methyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
CID 162377851
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate (CID 82342800) is tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate is Cc1nc(N)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate?
The InChIKey is OEROPWBAYIVYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H2,12,13)(H,14,15).
What are the key properties of tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate?
tert-butyl N-(6-amino-2-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-(6-amino-2-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 82342800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).