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

C20H16ClN3O — CID 10569827

IUPAC6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(-c3ccccc3)c(Cl)cc21
InChIInChI=1S/C20H16ClN3O/c21-18-12-19-15(11-17(18)14-5-2-1-3-6-14)8-10-24(19)20(25)23-16-7-4-9-22-13-16/h1-7,9,11-13H,8,10H2,(H,23,25)
InChIKeyGWVLAKFPEOAVDR-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.00
Rot. Bonds2

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

6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10569827) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10569827
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(-c3ccccc3)c(Cl)cc21
InChIInChI=1S/C20H16ClN3O/c21-18-12-19-15(11-17(18)14-5-2-1-3-6-14)8-10-24(19)20(25)23-16-7-4-9-22-13-16/h1-7,9,11-13H,8,10H2,(H,23,25)
InChIKeyGWVLAKFPEOAVDR-UHFFFAOYSA-N
XLogP5.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10569827) is 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccnc1)N1CCc2cc(-c3ccccc3)c(Cl)cc21.
What is the InChIKey of 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is GWVLAKFPEOAVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-18-12-19-15(11-17(18)14-5-2-1-3-6-14)8-10-24(19)20(25)23-16-7-4-9-22-13-16/h1-7,9,11-13H,8,10H2,(H,23,25).
What are the key properties of 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10569827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).