tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate

C12H19N3O2 — CID 19358376

IUPACtert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
SMILESCNc1ccc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C12H19N3O2/c1-8-9(13-5)6-7-10(14-8)15-11(16)17-12(2,3)4/h6-7,13H,1-5H3,(H,14,15,16)
InChIKeyYEYQKBKFDDDDLJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate

tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate (PubChem CID 19358376) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
PubChem CID19358376
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
SMILESCNc1ccc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C12H19N3O2/c1-8-9(13-5)6-7-10(14-8)15-11(16)17-12(2,3)4/h6-7,13H,1-5H3,(H,14,15,16)
InChIKeyYEYQKBKFDDDDLJ-UHFFFAOYSA-N
XLogP2.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate
CID 171471952
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate
CID 58081341
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate (CID 19358376) is tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate is CNc1ccc(NC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate?
The InChIKey is YEYQKBKFDDDDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-9(13-5)6-7-10(14-8)15-11(16)17-12(2,3)4/h6-7,13H,1-5H3,(H,14,15,16).
What are the key properties of tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate?
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 19358376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).