N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide

C55H60ClFN10O6 — CID 158152565

About N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide

N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide (PubChem CID 158152565) has the molecular formula C55H60ClFN10O6 and a molecular weight of 1011.60 g/mol. Its IUPAC name is N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

• Compound Name: N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide
• PubChem CID: 158152565
• Molecular Formula: C55H60ClFN10O6
• Molecular Weight: 1011.60 g/mol
• Exact Mass: 1010.44
• IUPAC Name: N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide
• SMILES: CC(C)C(=O)Cc1ccc(C(=O)N(CC(=O)N2CC(N)CC(N)C2)c2ccc(-c3ccccc3F)nc2)cc1.NC1CCCN(C(=O)CN(C(=O)c2ccc(Cl)c(O)c2)c2ccnc(-c3ccccc3)n2)CC1
• InChI: InChI=1S/C30H34FN5O3.C25H26ClN5O3/c1-19(2)28(37)13-20-7-9-21(10-8-20)30(39)36(18-29(38)35-16-22(32)14-23(33)17-35)24-11-12-27(34-15-24)25-5-3-4-6-26(25)31;26-20-9-8-18(15-21(20)32)25(34)31(16-23(33)30-13-4-7-19(27)11-14-30)22-10-12-28-24(29-22)17-5-2-1-3-6-17/h3-12,15,19,22-23H,13-14,16-18,32-33H2,1-2H3;1-3,5-6,8-10,12,15,19,32H,4,7,11,13-14,16,27H2
• InChIKey: FVHHCURWLVBZDX-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 235.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.60
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide?

The IUPAC name of N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide (CID 158152565) is N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide.

What is the SMILES notation for N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide?

The canonical SMILES for N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide is CC(C)C(=O)Cc1ccc(C(=O)N(CC(=O)N2CC(N)CC(N)C2)c2ccc(-c3ccccc3F)nc2)cc1.NC1CCCN(C(=O)CN(C(=O)c2ccc(Cl)c(O)c2)c2ccnc(-c3ccccc3)n2)CC1.

What is the InChIKey of N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide?

The InChIKey is FVHHCURWLVBZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O3.C25H26ClN5O3/c1-19(2)28(37)13-20-7-9-21(10-8-20)30(39)36(18-29(38)35-16-22(32)14-23(33)17-35)24-11-12-27(34-15-24)25-5-3-4-6-26(25)31;26-20-9-8-18(15-21(20)32)25(34)31(16-23(33)30-13-4-7-19(27)11-14-30)22-10-12-28-24(29-22)17-5-2-1-3-6-17/h3-12,15,19,22-23H,13-14,16-18,32-33H2,1-2H3;1-3,5-6,8-10,12,15,19,32H,4,7,11,13-14,16,27H2.

What are the key properties of N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide?

N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 1011.60 g/mol, XLogP of 6.68, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3,5-diaminopiperidin-1-yl)-2-oxoethyl]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 158152565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).