2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide

C131H146ClN21O16S — CID 159032496

About 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide

2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide (PubChem CID 159032496) has the molecular formula C131H146ClN21O16S and a molecular weight of 2338.26 g/mol. Its IUPAC name is 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide
• PubChem CID: 159032496
• Molecular Formula: C131H146ClN21O16S
• Molecular Weight: 2338.26 g/mol
• Exact Mass: 2336.07
• IUPAC Name: 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2NCCCCCCCN)c(C(=O)Nc2ccc(Cl)cn2)c1
• InChI: InChI=1S/C28H34ClN5O4S.C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O3/c1-19-8-12-24(23(16-19)28(36)34-26-13-9-20(29)18-32-26)33-27(35)22-11-10-21(39(2,37)38)17-25(22)31-15-7-5-3-4-6-14-30;1-20-11-16-24(23(19-20)28(35)32-26-10-6-8-18-30-26)31-27(34)22-14-12-21(13-15-22)25(33)9-5-3-2-4-7-17-29;1-18-9-14-22(21(17-18)26(33)30-24-8-4-6-16-28-24)29-25(32)20-12-10-19(11-13-20)23(31)7-3-2-5-15-27;1-17-8-13-21(20(16-17)25(32)29-23-7-3-5-15-27-23)28-24(31)19-11-9-18(10-12-19)22(30)6-2-4-14-26;1-17-7-12-21(20(16-17)24(30)28-22-6-2-4-14-26-22)27-23(29)18-8-10-19(11-9-18)31-15-5-3-13-25/h8-13,16-18,31H,3-7,14-15,30H2,1-2H3,(H,33,35)(H,32,34,36);6,8,10-16,18-19H,2-5,7,9,17,29H2,1H3,(H,31,34)(H,30,32,35);4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33);3,5,7-13,15-16H,2,4,6,14,26H2,1H3,(H,28,31)(H,27,29,32);2,4,6-12,14,16H,3,5,13,15,25H2,1H3,(H,27,29)(H,26,28,30)
• InChIKey: JVBATFKFPJIHRU-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 592.16 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 27
• Rotatable Bonds: 53
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2338.26
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide?

The IUPAC name of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide (CID 159032496) is 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide?

The canonical SMILES for 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide is Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2NCCCCCCCN)c(C(=O)Nc2ccc(Cl)cn2)c1.

What is the InChIKey of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide?

The InChIKey is JVBATFKFPJIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O4S.C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O3/c1-19-8-12-24(23(16-19)28(36)34-26-13-9-20(29)18-32-26)33-27(35)22-11-10-21(39(2,37)38)17-25(22)31-15-7-5-3-4-6-14-30;1-20-11-16-24(23(19-20)28(35)32-26-10-6-8-18-30-26)31-27(34)22-14-12-21(13-15-22)25(33)9-5-3-2-4-7-17-29;1-18-9-14-22(21(17-18)26(33)30-24-8-4-6-16-28-24)29-25(32)20-12-10-19(11-13-20)23(31)7-3-2-5-15-27;1-17-8-13-21(20(16-17)25(32)29-23-7-3-5-15-27-23)28-24(31)19-11-9-18(10-12-19)22(30)6-2-4-14-26;1-17-7-12-21(20(16-17)24(30)28-22-6-2-4-14-26-22)27-23(29)18-8-10-19(11-9-18)31-15-5-3-13-25/h8-13,16-18,31H,3-7,14-15,30H2,1-2H3,(H,33,35)(H,32,34,36);6,8,10-16,18-19H,2-5,7,9,17,29H2,1H3,(H,31,34)(H,30,32,35);4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33);3,5,7-13,15-16H,2,4,6,14,26H2,1H3,(H,28,31)(H,27,29,32);2,4,6-12,14,16H,3,5,13,15,25H2,1H3,(H,27,29)(H,26,28,30).

What are the key properties of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide?

2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide has a molecular weight of 2338.26 g/mol, XLogP of 23.46, 53 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 159032496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).