1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one

C23H31N3O2 — CID 141032990

IUPAC1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1cnccc1OCCCNCC1CCCCC1
InChIInChI=1S/C23H31N3O2/c27-22-9-4-8-20-19(22)11-14-26(20)21-17-25-13-10-23(21)28-15-5-12-24-16-18-6-2-1-3-7-18/h10-11,13-14,17-18,24H,1-9,12,15-16H2
InChIKeyINKRDYLBVQELTL-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.33
Rot. Bonds8

About 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one

1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 141032990) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one
PubChem CID141032990
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1cnccc1OCCCNCC1CCCCC1
InChIInChI=1S/C23H31N3O2/c27-22-9-4-8-20-19(22)11-14-26(20)21-17-25-13-10-23(21)28-15-5-12-24-16-18-6-2-1-3-7-18/h10-11,13-14,17-18,24H,1-9,12,15-16H2
InChIKeyINKRDYLBVQELTL-UHFFFAOYSA-N
XLogP4.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one (CID 141032990) is 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2-c1cnccc1OCCCNCC1CCCCC1.
What is the InChIKey of 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is INKRDYLBVQELTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22-9-4-8-20-19(22)11-14-26(20)21-17-25-13-10-23(21)28-15-5-12-24-16-18-6-2-1-3-7-18/h10-11,13-14,17-18,24H,1-9,12,15-16H2.
What are the key properties of 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one?
1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 381.52 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(cyclohexylmethylamino)propoxy]-3-pyridinyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 141032990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).