tert-butyl carbamate;pyridine-2-carboxamide

C11H17N3O3 — CID 175209186

IUPACtert-butyl carbamate;pyridine-2-carboxamide
SMILESCC(C)(C)OC(N)=O.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C5H11NO2/c7-6(9)5-3-1-2-4-8-5;1-5(2,3)8-4(6)7/h1-4H,(H2,7,9);1-3H3,(H2,6,7)
InChIKeyXSEDJNYDNVJSHF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.06
Rot. Bonds1

About tert-butyl carbamate;pyridine-2-carboxamide

tert-butyl carbamate;pyridine-2-carboxamide (PubChem CID 175209186) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is tert-butyl carbamate;pyridine-2-carboxamide.

Molecular Properties

Compound Nametert-butyl carbamate;pyridine-2-carboxamide
PubChem CID175209186
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Nametert-butyl carbamate;pyridine-2-carboxamide
SMILESCC(C)(C)OC(N)=O.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C5H11NO2/c7-6(9)5-3-1-2-4-8-5;1-5(2,3)8-4(6)7/h1-4H,(H2,7,9);1-3H3,(H2,6,7)
InChIKeyXSEDJNYDNVJSHF-UHFFFAOYSA-N
XLogP1.06
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;pyridine-2-carboxamide?
The IUPAC name of tert-butyl carbamate;pyridine-2-carboxamide (CID 175209186) is tert-butyl carbamate;pyridine-2-carboxamide.
What is the SMILES notation for tert-butyl carbamate;pyridine-2-carboxamide?
The canonical SMILES for tert-butyl carbamate;pyridine-2-carboxamide is CC(C)(C)OC(N)=O.NC(=O)c1ccccn1.
What is the InChIKey of tert-butyl carbamate;pyridine-2-carboxamide?
The InChIKey is XSEDJNYDNVJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C5H11NO2/c7-6(9)5-3-1-2-4-8-5;1-5(2,3)8-4(6)7/h1-4H,(H2,7,9);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;pyridine-2-carboxamide?
tert-butyl carbamate;pyridine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;pyridine-2-carboxamide is sourced from PubChem (CID 175209186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).