4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide

C26H28FN3O3 — CID 60516358

IUPAC4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C26H28FN3O3/c1-2-3-14-33-21-7-4-19(5-8-21)26(32)29-17-25(31)30-12-10-18(11-13-30)23-16-28-24-15-20(27)6-9-22(23)24/h4-10,15-16,28H,2-3,11-14,17H2,1H3,(H,29,32)
InChIKeyHPTZDNZDAXJSQE-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.53
Rot. Bonds8

About 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide

4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide (PubChem CID 60516358) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide
PubChem CID60516358
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C26H28FN3O3/c1-2-3-14-33-21-7-4-19(5-8-21)26(32)29-17-25(31)30-12-10-18(11-13-30)23-16-28-24-15-20(27)6-9-22(23)24/h4-10,15-16,28H,2-3,11-14,17H2,1H3,(H,29,32)
InChIKeyHPTZDNZDAXJSQE-UHFFFAOYSA-N
XLogP4.53
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 55727952
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-phenylbutan-1-one
CID 60516306
4-butoxy-N-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]benzamide
CID 2544715
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56546497
2-(4-chlorophenyl)sulfanyl-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 55733477
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 60516414
N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
CID 55849171
4-butoxy-N-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 87042207
[6-(cyclopropylmethylamino)-3-pyridinyl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146075595
3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 55730680

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide (CID 60516358) is 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is HPTZDNZDAXJSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-2-3-14-33-21-7-4-19(5-8-21)26(32)29-17-25(31)30-12-10-18(11-13-30)23-16-28-24-15-20(27)6-9-22(23)24/h4-10,15-16,28H,2-3,11-14,17H2,1H3,(H,29,32).
What are the key properties of 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 60516358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).