2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide

C141H137N19O8S2 — CID 165107399

About 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide

2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide (PubChem CID 165107399) has the molecular formula C141H137N19O8S2 and a molecular weight of 2289.91 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
• PubChem CID: 165107399
• Molecular Formula: C141H137N19O8S2
• Molecular Weight: 2289.91 g/mol
• Exact Mass: 2288.03
• IUPAC Name: 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3C)cc2)s1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)OCC(=O)N4)cc2)c(C)n1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)s1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ncc3c2C)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(NCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1cccnc1
• InChI: InChI=1S/C25H25N3O3.C25H25N3O.C24H23N3O.C23H23N3OS.C22H20N4O.C22H21N3OS/c1-16-5-11-21(17(2)27-16)25(30)26-13-3-4-18-6-8-19(9-7-18)20-10-12-22-23(14-20)31-15-24(29)28-22;1-17-6-3-4-8-21(17)25(29)26-15-5-7-19-9-11-20(12-10-19)22-13-14-24-23(18(22)2)16-27-28-24;1-17-5-2-3-7-22(17)24(28)26-13-4-6-18-8-10-19(11-9-18)21-15-20-12-14-25-23(20)27-16-21;1-15-5-12-22(28-15)23(27)24-13-3-4-17-6-8-18(9-7-17)19-10-11-21-20(16(19)2)14-25-26-21;27-22(19-4-2-10-23-14-19)25-11-1-3-16-5-7-17(8-6-16)20-13-18-9-12-24-21(18)26-15-20;1-15-4-9-20(27-15)22(26)24-11-2-3-16-5-7-17(8-6-16)19-13-18-10-12-23-21(18)25-14-19/h5-12,14H,3-4,13,15H2,1-2H3,(H,26,30)(H,28,29);3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,26,29)(H,27,28);2-3,5,7-12,14-16H,4,6,13H2,1H3,(H,25,27)(H,26,28);5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H,25,26);2,4-10,12-15H,1,3,11H2,(H,24,26)(H,25,27);4-10,12-14H,2-3,11H2,1H3,(H,23,25)(H,24,26)
• InChIKey: ZJHSWVDUPILALW-UHFFFAOYSA-N
• XLogP: 28.39
• TPSA: 382.11 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2289.91
LogP ≤ 5	28.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?

The IUPAC name of 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide (CID 165107399) is 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide.

What is the SMILES notation for 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?

The canonical SMILES for 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3C)cc2)s1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)OCC(=O)N4)cc2)c(C)n1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)s1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ncc3c2C)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1.O=C(NCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1cccnc1.

What is the InChIKey of 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?

The InChIKey is ZJHSWVDUPILALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3.C25H25N3O.C24H23N3O.C23H23N3OS.C22H20N4O.C22H21N3OS/c1-16-5-11-21(17(2)27-16)25(30)26-13-3-4-18-6-8-19(9-7-18)20-10-12-22-23(14-20)31-15-24(29)28-22;1-17-6-3-4-8-21(17)25(29)26-15-5-7-19-9-11-20(12-10-19)22-13-14-24-23(18(22)2)16-27-28-24;1-17-5-2-3-7-22(17)24(28)26-13-4-6-18-8-10-19(11-9-18)21-15-20-12-14-25-23(20)27-16-21;1-15-5-12-22(28-15)23(27)24-13-3-4-17-6-8-18(9-7-17)19-10-11-21-20(16(19)2)14-25-26-21;27-22(19-4-2-10-23-14-19)25-11-1-3-16-5-7-17(8-6-16)20-13-18-9-12-24-21(18)26-15-20;1-15-4-9-20(27-15)22(26)24-11-2-3-16-5-7-17(8-6-16)19-13-18-10-12-23-21(18)25-14-19/h5-12,14H,3-4,13,15H2,1-2H3,(H,26,30)(H,28,29);3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,26,29)(H,27,28);2-3,5,7-12,14-16H,4,6,13H2,1H3,(H,25,27)(H,26,28);5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H,25,26);2,4-10,12-15H,1,3,11H2,(H,24,26)(H,25,27);4-10,12-14H,2-3,11H2,1H3,(H,23,25)(H,24,26).

What are the key properties of 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?

2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide has a molecular weight of 2289.91 g/mol, XLogP of 28.39, 36 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 165107399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).