ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate

C97H97F5N12O13 — CID 167584869

IUPACethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cn2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cn2)cc1F
InChIInChI=1S/C25H26FN3O3.C24H23F2N3O3.C24H24FN3O4.C24H24FN3O3/c1-5-32-25(31)29(4)23-12-9-19(14-21(23)26)22-11-8-20(15-27-22)24(30)13-10-18-7-6-16(2)28-17(18)3;1-4-32-24(31)29(3)21-10-6-17(13-19(21)25)20-9-5-18(14-27-20)22(30)11-7-16-8-12-23(26)28-15(16)2;1-4-32-24(30)28(2)21-10-8-17(13-19(21)25)20-9-7-18(15-26-20)22(29)11-5-16-6-12-23(31-3)27-14-16;1-4-31-24(30)28(3)22-11-9-18(13-20(22)25)19-8-10-21(27-15-19)23(29)12-7-17-6-5-16(2)26-14-17/h6-9,11-12,14-15H,5,10,13H2,1-4H3;5-6,8-10,12-14H,4,7,11H2,1-3H3;6-10,12-15H,4-5,11H2,1-3H3;5-6,8-11,13-15H,4,7,12H2,1-3H3
InChIKeyHQZDJCGMRLWVFI-UHFFFAOYSA-N
MW1733.90 g/mol
LogP20.14
Rot. Bonds29

About ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate

ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate (PubChem CID 167584869) has the molecular formula C97H97F5N12O13 and a molecular weight of 1733.90 g/mol. Its IUPAC name is ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate
PubChem CID167584869
Molecular FormulaC97H97F5N12O13
Molecular Weight1733.90 g/mol
Exact Mass1732.72
IUPAC Nameethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cn2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cn2)cc1F
InChIInChI=1S/C25H26FN3O3.C24H23F2N3O3.C24H24FN3O4.C24H24FN3O3/c1-5-32-25(31)29(4)23-12-9-19(14-21(23)26)22-11-8-20(15-27-22)24(30)13-10-18-7-6-16(2)28-17(18)3;1-4-32-24(31)29(3)21-10-6-17(13-19(21)25)20-9-5-18(14-27-20)22(30)11-7-16-8-12-23(26)28-15(16)2;1-4-32-24(30)28(2)21-10-8-17(13-19(21)25)20-9-7-18(15-26-20)22(29)11-5-16-6-12-23(31-3)27-14-16;1-4-31-24(30)28(3)22-11-9-18(13-20(22)25)19-8-10-21(27-15-19)23(29)12-7-17-6-5-16(2)26-14-17/h6-9,11-12,14-15H,5,10,13H2,1-4H3;5-6,8-10,12-14H,4,7,11H2,1-3H3;6-10,12-15H,4-5,11H2,1-3H3;5-6,8-11,13-15H,4,7,12H2,1-3H3
InChIKeyHQZDJCGMRLWVFI-UHFFFAOYSA-N
XLogP20.14
TPSA298.79 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.90
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

N-(6-(4-fluorophenoxy)pyridin-3-yl)-6-(4-(4-(4-methylpiperazin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710727
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073133
1-[5-[4-(4-Fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone
CID 58073142
1-[6-[4-[4-(4-Methylpiperazin-1-yl)benzoyl]piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073169
1-[6-[4-(2,4-Difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone
CID 58073177
1-[4-[1-[5-[2-[6-(4-Fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one
CID 58073193
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073242
1-[5-[4-(2,4-Difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone
CID 58073243
1-[6-[4-(2,4-Difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 58073244
2-[1-[(3,5-Difluorophenyl)methyl]piperidin-4-yl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073321
1-[5-[4-(3,4-Difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 58073361
4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide
CID 58073370

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate (CID 167584869) is ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cn2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCOC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cn2)cc1F.
What is the InChIKey of ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate?
The InChIKey is HQZDJCGMRLWVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3.C24H23F2N3O3.C24H24FN3O4.C24H24FN3O3/c1-5-32-25(31)29(4)23-12-9-19(14-21(23)26)22-11-8-20(15-27-22)24(30)13-10-18-7-6-16(2)28-17(18)3;1-4-32-24(31)29(3)21-10-6-17(13-19(21)25)20-9-5-18(14-27-20)22(30)11-7-16-8-12-23(26)28-15(16)2;1-4-32-24(30)28(2)21-10-8-17(13-19(21)25)20-9-7-18(15-26-20)22(29)11-5-16-6-12-23(31-3)27-14-16;1-4-31-24(30)28(3)22-11-9-18(13-20(22)25)19-8-10-21(27-15-19)23(29)12-7-17-6-5-16(2)26-14-17/h6-9,11-12,14-15H,5,10,13H2,1-4H3;5-6,8-10,12-14H,4,7,11H2,1-3H3;6-10,12-15H,4-5,11H2,1-3H3;5-6,8-11,13-15H,4,7,12H2,1-3H3.
What are the key properties of ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate?
ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate has a molecular weight of 1733.90 g/mol, XLogP of 20.14, 29 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylcarbamate;ethyl N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 167584869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).