6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide

C85H74ClN11O4S3 — CID 158571936

IUPAC6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3cccc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1
InChIInChI=1S/C22H18ClN3O.2C21H19N3OS.C21H18N2OS/c1-15-9-11-16(12-10-15)13-26-14-19(17-5-2-3-7-20(17)26)25-22(27)18-6-4-8-21(23)24-18;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-12,14H,13H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24)
InChIKeyHSELENDKAMOCIZ-UHFFFAOYSA-N
MW1445.25 g/mol
LogP20.64
Rot. Bonds16

About 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide

6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (PubChem CID 158571936) has the molecular formula C85H74ClN11O4S3 and a molecular weight of 1445.25 g/mol. Its IUPAC name is 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
PubChem CID158571936
Molecular FormulaC85H74ClN11O4S3
Molecular Weight1445.25 g/mol
Exact Mass1443.48
IUPAC Name6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3cccc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1
InChIInChI=1S/C22H18ClN3O.2C21H19N3OS.C21H18N2OS/c1-15-9-11-16(12-10-15)13-26-14-19(17-5-2-3-7-20(17)26)25-22(27)18-6-4-8-21(23)24-18;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-12,14H,13H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24)
InChIKeyHSELENDKAMOCIZ-UHFFFAOYSA-N
XLogP20.64
TPSA174.79 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.25
LogP ≤ 520.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (CID 158571936) is 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3cccc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1.
What is the InChIKey of 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is HSELENDKAMOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O.2C21H19N3OS.C21H18N2OS/c1-15-9-11-16(12-10-15)13-26-14-19(17-5-2-3-7-20(17)26)25-22(27)18-6-4-8-21(23)24-18;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-12,14H,13H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24).
What are the key properties of 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 1445.25 g/mol, XLogP of 20.64, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158571936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).