N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide

C140H163N19O17 — CID 159555667

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide (PubChem CID 159555667) has the molecular formula C140H163N19O17 and a molecular weight of 2383.96 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide
• PubChem CID: 159555667
• Molecular Formula: C140H163N19O17
• Molecular Weight: 2383.96 g/mol
• Exact Mass: 2382.25
• IUPAC Name: N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide
• SMILES: CCc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NCC2CCN(C)CC2)c1.CCc1ccc(-c2cn[nH]c2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CN(C)CCOc1cc(-c2ccncc2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.COCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1
• InChI: InChI=1S/C30H36N4O4.C30H36N4O3.C28H31N3O4.2C26H30N4O3/c1-34(2)16-17-38-28-19-22(21-12-14-31-15-13-21)10-11-26(28)30(37)33-27(20-35)23-6-5-7-24(18-23)29(36)32-25-8-3-4-9-25;1-3-22-7-8-24(23-9-13-31-14-10-23)18-27(22)30(37)33-28(20-35)25-5-4-6-26(17-25)29(36)32-19-21-11-15-34(2)16-12-21;1-35-18-23-10-9-20(19-11-13-29-14-12-19)16-25(23)28(34)31-26(17-32)21-5-4-6-22(15-21)27(33)30-24-7-2-3-8-24;1-2-17-12-18(21-14-27-28-15-21)10-11-23(17)26(33)30-24(16-31)19-6-5-7-20(13-19)25(32)29-22-8-3-4-9-22;1-2-17-10-11-18(21-14-27-28-15-21)13-23(17)26(33)30-24(16-31)19-6-5-7-20(12-19)25(32)29-22-8-3-4-9-22/h5-7,10-15,18-19,25,27,35H,3-4,8-9,16-17,20H2,1-2H3,(H,32,36)(H,33,37);4-10,13-14,17-18,21,28,35H,3,11-12,15-16,19-20H2,1-2H3,(H,32,36)(H,33,37);4-6,9-16,24,26,32H,2-3,7-8,17-18H2,1H3,(H,30,33)(H,31,34);2*5-7,10-15,22,24,31H,2-4,8-9,16H2,1H3,(H,27,28)(H,29,32)(H,30,33)/t27-;28-;26-;2*24-/m11111/s1
• InChIKey: MFYLEXQKNSDXNX-XHEOQFPJSA-N
• XLogP: 19.25
• TPSA: 513.12 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.96
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide?

The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide (CID 159555667) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide.

What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide?

The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide is CCc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NCC2CCN(C)CC2)c1.CCc1ccc(-c2cn[nH]c2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.CN(C)CCOc1cc(-c2ccncc2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.COCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.

What is the InChIKey of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide?

The InChIKey is MFYLEXQKNSDXNX-XHEOQFPJSA-N. The full InChI is InChI=1S/C30H36N4O4.C30H36N4O3.C28H31N3O4.2C26H30N4O3/c1-34(2)16-17-38-28-19-22(21-12-14-31-15-13-21)10-11-26(28)30(37)33-27(20-35)23-6-5-7-24(18-23)29(36)32-25-8-3-4-9-25;1-3-22-7-8-24(23-9-13-31-14-10-23)18-27(22)30(37)33-28(20-35)25-5-4-6-26(17-25)29(36)32-19-21-11-15-34(2)16-12-21;1-35-18-23-10-9-20(19-11-13-29-14-12-19)16-25(23)28(34)31-26(17-32)21-5-4-6-22(15-21)27(33)30-24-7-2-3-8-24;1-2-17-12-18(21-14-27-28-15-21)10-11-23(17)26(33)30-24(16-31)19-6-5-7-20(13-19)25(32)29-22-8-3-4-9-22;1-2-17-10-11-18(21-14-27-28-15-21)13-23(17)26(33)30-24(16-31)19-6-5-7-20(12-19)25(32)29-22-8-3-4-9-22/h5-7,10-15,18-19,25,27,35H,3-4,8-9,16-17,20H2,1-2H3,(H,32,36)(H,33,37);4-10,13-14,17-18,21,28,35H,3,11-12,15-16,19-20H2,1-2H3,(H,32,36)(H,33,37);4-6,9-16,24,26,32H,2-3,7-8,17-18H2,1H3,(H,30,33)(H,31,34);2*5-7,10-15,22,24,31H,2-4,8-9,16H2,1H3,(H,27,28)(H,29,32)(H,30,33)/t27-;28-;26-;2*24-/m11111/s1.

What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide?

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide has a molecular weight of 2383.96 g/mol, XLogP of 19.25, 45 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 159555667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).