N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide

C22H21N3O2 — CID 113016596

IUPACN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(N2CCc3ccccc32)nc1
InChIInChI=1S/C22H21N3O2/c26-22(13-15-27-19-7-2-1-3-8-19)24-18-10-11-21(23-16-18)25-14-12-17-6-4-5-9-20(17)25/h1-11,16H,12-15H2,(H,24,26)
InChIKeyLTHHDHMPYIXOPG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.18
Rot. Bonds6

About N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide

N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide (PubChem CID 113016596) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide
PubChem CID113016596
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(N2CCc3ccccc32)nc1
InChIInChI=1S/C22H21N3O2/c26-22(13-15-27-19-7-2-1-3-8-19)24-18-10-11-21(23-16-18)25-14-12-17-6-4-5-9-20(17)25/h1-11,16H,12-15H2,(H,24,26)
InChIKeyLTHHDHMPYIXOPG-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113016604
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-2,3-dihydroindole
CID 113016627
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 113016563
3-chloro-N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113016598
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113016628
1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
CID 113016721
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide (CID 113016596) is N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc(N2CCc3ccccc32)nc1.
What is the InChIKey of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide?
The InChIKey is LTHHDHMPYIXOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(13-15-27-19-7-2-1-3-8-19)24-18-10-11-21(23-16-18)25-14-12-17-6-4-5-9-20(17)25/h1-11,16H,12-15H2,(H,24,26).
What are the key properties of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide?
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide has a molecular weight of 359.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113016596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).