N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide

C20H15Cl2N3O — CID 109242525

IUPACN-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cncc(N2CCc3ccccc32)c1
InChIInChI=1S/C20H15Cl2N3O/c21-15-5-6-17(22)18(10-15)24-20(26)14-9-16(12-23-11-14)25-8-7-13-3-1-2-4-19(13)25/h1-6,9-12H,7-8H2,(H,24,26)
InChIKeyWJFATFSOJBSRME-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.33
Rot. Bonds3

About N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide

N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide (PubChem CID 109242525) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
PubChem CID109242525
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC NameN-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cncc(N2CCc3ccccc32)c1
InChIInChI=1S/C20H15Cl2N3O/c21-15-5-6-17(22)18(10-15)24-20(26)14-9-16(12-23-11-14)25-8-7-13-3-1-2-4-19(13)25/h1-6,9-12H,7-8H2,(H,24,26)
InChIKeyWJFATFSOJBSRME-UHFFFAOYSA-N
XLogP5.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide (CID 109242525) is N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cncc(N2CCc3ccccc32)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The InChIKey is WJFATFSOJBSRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-15-5-6-17(22)18(10-15)24-20(26)14-9-16(12-23-11-14)25-8-7-13-3-1-2-4-19(13)25/h1-6,9-12H,7-8H2,(H,24,26).
What are the key properties of N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide has a molecular weight of 384.27 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109242525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).