N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide

C120H164Cl2F4N20O8 — CID 158093825

IUPACN-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
SMILESCC1=CC(Cl)NC(C)=C1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(F)c2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(F)c2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C30H41ClFN5O2.C30H42ClN5O2.C30H41F2N5O2.C30H40FN5O2/c1-19-16-26(31)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(32)17-22)18-36(29(37)39)30(4,5)6;1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24;1-19-16-26(32)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(31)17-22)18-36(29(37)39)30(4,5)6;1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-6,8-9,18,21,24-27,33H,7,10-17,19H2,1-3H3,(H,32,37);7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t;21?,26-,27?;;21?,26-/m.0.0/s1
InChIKeyFOKVHDMGMJJVLM-NXXHEXIDSA-N
MW2161.66 g/mol
LogP20.58
Rot. Bonds30

About N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide

N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide (PubChem CID 158093825) has the molecular formula C120H164Cl2F4N20O8 and a molecular weight of 2161.66 g/mol. Its IUPAC name is N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
PubChem CID158093825
Molecular FormulaC120H164Cl2F4N20O8
Molecular Weight2161.66 g/mol
Exact Mass2159.24
IUPAC NameN-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
SMILESCC1=CC(Cl)NC(C)=C1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(F)c2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(F)c2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C30H41ClFN5O2.C30H42ClN5O2.C30H41F2N5O2.C30H40FN5O2/c1-19-16-26(31)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(32)17-22)18-36(29(37)39)30(4,5)6;1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24;1-19-16-26(32)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(31)17-22)18-36(29(37)39)30(4,5)6;1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-6,8-9,18,21,24-27,33H,7,10-17,19H2,1-3H3,(H,32,37);7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t;21?,26-,27?;;21?,26-/m.0.0/s1
InChIKeyFOKVHDMGMJJVLM-NXXHEXIDSA-N
XLogP20.58
TPSA274.26 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002161.66
LogP ≤ 520.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide (CID 158093825) is N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide is CC1=CC(Cl)NC(C)=C1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(F)c2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(F)c2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is FOKVHDMGMJJVLM-NXXHEXIDSA-N. The full InChI is InChI=1S/C30H41ClFN5O2.C30H42ClN5O2.C30H41F2N5O2.C30H40FN5O2/c1-19-16-26(31)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(32)17-22)18-36(29(37)39)30(4,5)6;1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24;1-19-16-26(32)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(31)17-22)18-36(29(37)39)30(4,5)6;1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-6,8-9,18,21,24-27,33H,7,10-17,19H2,1-3H3,(H,32,37);7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t;21?,26-,27?;;21?,26-/m.0.0/s1.
What are the key properties of N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 2161.66 g/mol, XLogP of 20.58, 30 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-tert-butyl-5-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethyl-1,2-dihydropyridine-5-carboxamide;N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 158093825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).