N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide

C44H50N6O3S — CID 157281476

IUPACN-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide
SMILESCCCCCCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccsc4)cc23)CC1.CCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccco4)cc23)CC1
InChIInChI=1S/C24H29N3OS.C20H21N3O2/c1-2-3-4-5-11-27-12-8-18(9-13-27)22-16-25-23-7-6-20(15-21(22)23)26-24(28)19-10-14-29-17-19;1-2-23-9-7-14(8-10-23)17-13-21-18-6-5-15(12-16(17)18)22-20(24)19-4-3-11-25-19/h6-8,10,14-17,25H,2-5,9,11-13H2,1H3,(H,26,28);3-7,11-13,21H,2,8-10H2,1H3,(H,22,24)
InChIKeyAZSHHJZYMMADLM-UHFFFAOYSA-N
MW742.99 g/mol
LogP10.27
Rot. Bonds12

About N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide

N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide (PubChem CID 157281476) has the molecular formula C44H50N6O3S and a molecular weight of 742.99 g/mol. Its IUPAC name is N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide
PubChem CID157281476
Molecular FormulaC44H50N6O3S
Molecular Weight742.99 g/mol
Exact Mass742.37
IUPAC NameN-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide
SMILESCCCCCCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccsc4)cc23)CC1.CCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccco4)cc23)CC1
InChIInChI=1S/C24H29N3OS.C20H21N3O2/c1-2-3-4-5-11-27-12-8-18(9-13-27)22-16-25-23-7-6-20(15-21(22)23)26-24(28)19-10-14-29-17-19;1-2-23-9-7-14(8-10-23)17-13-21-18-6-5-15(12-16(17)18)22-20(24)19-4-3-11-25-19/h6-8,10,14-17,25H,2-5,9,11-13H2,1H3,(H,26,28);3-7,11-13,21H,2,8-10H2,1H3,(H,22,24)
InChIKeyAZSHHJZYMMADLM-UHFFFAOYSA-N
XLogP10.27
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.99
LogP ≤ 510.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(thiophene-2-carbonyl)piperidine-1-carboxamide
CID 145964683
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156387
N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]furan-2-carboxamide
CID 44528356
N-(2-{[2-(4-fluorophenyl)-1H-indol-3-yl]thio}ethyl)-2-furamide
CID 2052918
2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 36655716
N-[(Furan-2-YL)methyl]-2-({1-[(2-methylphenyl)methyl]-1H-indol-3-YL}sulfanyl)acetamide
CID 3338227
N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-{[2-(5-fluoro-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 17038956
2-((1-benzyl-1H-indol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 4294471
N-(furan-2-ylmethyl)-2-((1-methyl-1H-indol-3-yl)thio)acetamide
CID 4448531
N-{4-[4-phenyl-3-(1H-pyrrol-1-yl)thiophene-2-amido]phenyl}furan-2-carboxamide
CID 27372856
3-{[1-Benzyl-2-(thiophen-2-YL)-1H-indol-3-YL]methyl}-1-[(furan-2-YL)methyl]urea
CID 45106591

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide (CID 157281476) is N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide is CCCCCCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccsc4)cc23)CC1.CCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccco4)cc23)CC1.
What is the InChIKey of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide?
The InChIKey is AZSHHJZYMMADLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS.C20H21N3O2/c1-2-3-4-5-11-27-12-8-18(9-13-27)22-16-25-23-7-6-20(15-21(22)23)26-24(28)19-10-14-29-17-19;1-2-23-9-7-14(8-10-23)17-13-21-18-6-5-15(12-16(17)18)22-20(24)19-4-3-11-25-19/h6-8,10,14-17,25H,2-5,9,11-13H2,1H3,(H,26,28);3-7,11-13,21H,2,8-10H2,1H3,(H,22,24).
What are the key properties of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide?
N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide has a molecular weight of 742.99 g/mol, XLogP of 10.27, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamide;N-[3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-3-carboxamide is sourced from PubChem (CID 157281476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).