[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone

C24H29N3O2 — CID 150034407

IUPAC[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone
SMILESCCCCCCN1CC=C(c2cn(N)c3ccc(C(=O)c4ccco4)cc23)CC1
InChIInChI=1S/C24H29N3O2/c1-2-3-4-5-12-26-13-10-18(11-14-26)21-17-27(25)22-9-8-19(16-20(21)22)24(28)23-7-6-15-29-23/h6-10,15-17H,2-5,11-14,25H2,1H3
InChIKeyDHYIMETWPFBNCC-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.85
Rot. Bonds8

About [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone

[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone (PubChem CID 150034407) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone
PubChem CID150034407
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone
SMILESCCCCCCN1CC=C(c2cn(N)c3ccc(C(=O)c4ccco4)cc23)CC1
InChIInChI=1S/C24H29N3O2/c1-2-3-4-5-12-26-13-10-18(11-14-26)21-17-27(25)22-9-8-19(16-20(21)22)24(28)23-7-6-15-29-23/h6-10,15-17H,2-5,11-14,25H2,1H3
InChIKeyDHYIMETWPFBNCC-UHFFFAOYSA-N
XLogP4.85
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.85
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-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone (CID 150034407) is [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone is CCCCCCN1CC=C(c2cn(N)c3ccc(C(=O)c4ccco4)cc23)CC1.
What is the InChIKey of [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone?
The InChIKey is DHYIMETWPFBNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-3-4-5-12-26-13-10-18(11-14-26)21-17-27(25)22-9-8-19(16-20(21)22)24(28)23-7-6-15-29-23/h6-10,15-17H,2-5,11-14,25H2,1H3.
What are the key properties of [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone?
[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone has a molecular weight of 391.52 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 150034407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).