tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate

C18H19N3O5 — CID 166597114

IUPACtert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H19N3O5/c1-18(2,3)26-17(23)21-15-7-4-11(9-19-15)16(22)20-12-5-6-13-14(8-12)25-10-24-13/h4-9H,10H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyQVFYRZJIDTXULL-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate

tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate (PubChem CID 166597114) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate
PubChem CID166597114
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Nametert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H19N3O5/c1-18(2,3)26-17(23)21-15-7-4-11(9-19-15)16(22)20-12-5-6-13-14(8-12)25-10-24-13/h4-9H,10H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyQVFYRZJIDTXULL-UHFFFAOYSA-N
XLogP3.41
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 67486999
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109163145
N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 17472215
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate (CID 166597114) is tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate?
The InChIKey is QVFYRZJIDTXULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-18(2,3)26-17(23)21-15-7-4-11(9-19-15)16(22)20-12-5-6-13-14(8-12)25-10-24-13/h4-9H,10H2,1-3H3,(H,20,22)(H,19,21,23).
What are the key properties of tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate has a molecular weight of 357.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 166597114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).