5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C18H20ClN3O — CID 10830245

IUPAC5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C18H20ClN3O/c1-18(2,3)14-9-12-6-8-22(16(12)10-15(14)19)17(23)21-13-5-4-7-20-11-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,21,23)
InChIKeyNJCWASKCTHVLLT-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.63
Rot. Bonds1

About 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10830245) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10830245
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C18H20ClN3O/c1-18(2,3)14-9-12-6-8-22(16(12)10-15(14)19)17(23)21-13-5-4-7-20-11-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,21,23)
InChIKeyNJCWASKCTHVLLT-UHFFFAOYSA-N
XLogP4.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10830245) is 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is NJCWASKCTHVLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-18(2,3)14-9-12-6-8-22(16(12)10-15(14)19)17(23)21-13-5-4-7-20-11-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,21,23).
What are the key properties of 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10830245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).