tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate

C19H22N6O3 — CID 25210616

IUPACtert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1ccc2nc(-c3cccnc3)n(C(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C19H22N6O3/c1-5-21-17(26)24-14-9-8-13-16(23-14)25(18(27)28-19(2,3)4)15(22-13)12-7-6-10-20-11-12/h6-11H,5H2,1-4H3,(H2,21,23,24,26)
InChIKeyWQYZWQAFPNONEM-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate

tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate (PubChem CID 25210616) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate
PubChem CID25210616
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Nametert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1ccc2nc(-c3cccnc3)n(C(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C19H22N6O3/c1-5-21-17(26)24-14-9-8-13-16(23-14)25(18(27)28-19(2,3)4)15(22-13)12-7-6-10-20-11-12/h6-11H,5H2,1-4H3,(H2,21,23,24,26)
InChIKeyWQYZWQAFPNONEM-UHFFFAOYSA-N
XLogP3.42
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate?
The IUPAC name of tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate (CID 25210616) is tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate is CCNC(=O)Nc1ccc2nc(-c3cccnc3)n(C(=O)OC(C)(C)C)c2n1.
What is the InChIKey of tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate?
The InChIKey is WQYZWQAFPNONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-5-21-17(26)24-14-9-8-13-16(23-14)25(18(27)28-19(2,3)4)15(22-13)12-7-6-10-20-11-12/h6-11H,5H2,1-4H3,(H2,21,23,24,26).
What are the key properties of tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate?
tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate is sourced from PubChem (CID 25210616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).