tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate

C19H30N2O4 — CID 169246587

IUPACtert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate
SMILESCCC(Cc1nc(OC)c(C2CC2)cc1OC)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O4/c1-7-13(20-18(22)25-19(2,3)4)10-15-16(23-5)11-14(12-8-9-12)17(21-15)24-6/h11-13H,7-10H2,1-6H3,(H,20,22)
InChIKeyCBSARHUTCQLTOC-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.82
Rot. Bonds7

About tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate

tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate (PubChem CID 169246587) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate
PubChem CID169246587
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nametert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate
SMILESCCC(Cc1nc(OC)c(C2CC2)cc1OC)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O4/c1-7-13(20-18(22)25-19(2,3)4)10-15-16(23-5)11-14(12-8-9-12)17(21-15)24-6/h11-13H,7-10H2,1-6H3,(H,20,22)
InChIKeyCBSARHUTCQLTOC-UHFFFAOYSA-N
XLogP3.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate (CID 169246587) is tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate is CCC(Cc1nc(OC)c(C2CC2)cc1OC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate?
The InChIKey is CBSARHUTCQLTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-13(20-18(22)25-19(2,3)4)10-15-16(23-5)11-14(12-8-9-12)17(21-15)24-6/h11-13H,7-10H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate?
tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate is sourced from PubChem (CID 169246587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).