tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate

C23H22N2O2 — CID 161316459

IUPACtert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccnc3c2-c2ccccc2C3)c1
InChIInChI=1S/C23H22N2O2/c1-23(2,3)27-22(26)25-17-9-6-8-15(13-17)19-11-12-24-20-14-16-7-4-5-10-18(16)21(19)20/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeySMARMYKFKZTQTI-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.67
Rot. Bonds2

About tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate

tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate (PubChem CID 161316459) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate
PubChem CID161316459
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Nametert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccnc3c2-c2ccccc2C3)c1
InChIInChI=1S/C23H22N2O2/c1-23(2,3)27-22(26)25-17-9-6-8-15(13-17)19-11-12-24-20-14-16-7-4-5-10-18(16)21(19)20/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeySMARMYKFKZTQTI-UHFFFAOYSA-N
XLogP5.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate (CID 161316459) is tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(-c2ccnc3c2-c2ccccc2C3)c1.
What is the InChIKey of tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate?
The InChIKey is SMARMYKFKZTQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-23(2,3)27-22(26)25-17-9-6-8-15(13-17)19-11-12-24-20-14-16-7-4-5-10-18(16)21(19)20/h4-13H,14H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate?
tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]carbamate is sourced from PubChem (CID 161316459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).