N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C46H35Cl2F3N10O5 — CID 143465753

About N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 143465753) has the molecular formula C46H35Cl2F3N10O5 and a molecular weight of 935.75 g/mol. Its IUPAC name is N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 143465753
• Molecular Formula: C46H35Cl2F3N10O5
• Molecular Weight: 935.75 g/mol
• Exact Mass: 934.21
• IUPAC Name: N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-n3cnc(-c4cc(NC(=O)c5ccc(N6CCOCC6)nc5)cc(NC(=O)c5ccccc5)c4Cl)n3)cc2)c1
• InChI: InChI=1S/C46H35Cl2F3N10O5/c1-26-33(13-15-38(54-26)46(49,50)51)45(65)55-30-10-14-35(47)36(22-30)57-43(63)28-7-11-32(12-8-28)61-25-53-41(59-61)34-21-31(23-37(40(34)48)58-42(62)27-5-3-2-4-6-27)56-44(64)29-9-16-39(52-24-29)60-17-19-66-20-18-60/h2-16,21-25H,17-20H2,1H3,(H,55,65)(H,56,64)(H,57,63)(H,58,62)
• InChIKey: VOFXROQNKUQKJP-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 185.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.75
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 143465753) is N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-n3cnc(-c4cc(NC(=O)c5ccc(N6CCOCC6)nc5)cc(NC(=O)c5ccccc5)c4Cl)n3)cc2)c1.

What is the InChIKey of N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is VOFXROQNKUQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35Cl2F3N10O5/c1-26-33(13-15-38(54-26)46(49,50)51)45(65)55-30-10-14-35(47)36(22-30)57-43(63)28-7-11-32(12-8-28)61-25-53-41(59-61)34-21-31(23-37(40(34)48)58-42(62)27-5-3-2-4-6-27)56-44(64)29-9-16-39(52-24-29)60-17-19-66-20-18-60/h2-16,21-25H,17-20H2,1H3,(H,55,65)(H,56,64)(H,57,63)(H,58,62).

What are the key properties of N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 935.75 g/mol, XLogP of 9.20, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 143465753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).