N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

C120H159Cl3FN21O7S — CID 159609693

IUPACN-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCCC[C@@H]1CN(c2ccccc2)C(=O)N1C1CCN(C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(c3ccccc3N)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C3CC3)C[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C32H39ClN6O2.C30H42FN5O2.C29H40ClN5O2.C29H38ClN5OS/c1-21-19-29(33)36-23(3)30(21)31(40)35-16-13-22(2)37-17-14-25(15-18-37)39-28(24-9-5-4-6-10-24)20-38(32(39)41)27-12-8-7-11-26(27)34;1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6;1-5-9-25-19-34(23-10-7-6-8-11-23)29(37)35(25)24-13-16-33(17-14-24)21(3)12-15-31-28(36)27-20(2)18-26(30)32-22(27)4;1-19-17-26(30)32-21(3)27(19)28(36)31-14-11-20(2)33-15-12-24(13-16-33)35-25(22-7-5-4-6-8-22)18-34(29(35)37)23-9-10-23/h4-12,19,22,25,28H,13-18,20,34H2,1-3H3,(H,35,40);7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37);6-8,10-11,18,21,24-25H,5,9,12-17,19H2,1-4H3,(H,31,36);4-8,17,20,23-25H,9-16,18H2,1-3H3,(H,31,36)/t22?,28-;2*21?,25-;20?,25-/m0010/s1
InChIKeyMMNHCORURLDYSS-HZMYTYDBSA-N
MW2165.16 g/mol
LogP21.24
Rot. Bonds32

About N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 159609693) has the molecular formula C120H159Cl3FN21O7S and a molecular weight of 2165.16 g/mol. Its IUPAC name is N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID159609693
Molecular FormulaC120H159Cl3FN21O7S
Molecular Weight2165.16 g/mol
Exact Mass2162.15
IUPAC NameN-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCCC[C@@H]1CN(c2ccccc2)C(=O)N1C1CCN(C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(c3ccccc3N)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C3CC3)C[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C32H39ClN6O2.C30H42FN5O2.C29H40ClN5O2.C29H38ClN5OS/c1-21-19-29(33)36-23(3)30(21)31(40)35-16-13-22(2)37-17-14-25(15-18-37)39-28(24-9-5-4-6-10-24)20-38(32(39)41)27-12-8-7-11-26(27)34;1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6;1-5-9-25-19-34(23-10-7-6-8-11-23)29(37)35(25)24-13-16-33(17-14-24)21(3)12-15-31-28(36)27-20(2)18-26(30)32-22(27)4;1-19-17-26(30)32-21(3)27(19)28(36)31-14-11-20(2)33-15-12-24(13-16-33)35-25(22-7-5-4-6-8-22)18-34(29(35)37)23-9-10-23/h4-12,19,22,25,28H,13-18,20,34H2,1-3H3,(H,35,40);7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37);6-8,10-11,18,21,24-25H,5,9,12-17,19H2,1-4H3,(H,31,36);4-8,17,20,23-25H,9-16,18H2,1-3H3,(H,31,36)/t22?,28-;2*21?,25-;20?,25-/m0010/s1
InChIKeyMMNHCORURLDYSS-HZMYTYDBSA-N
XLogP21.24
TPSA284.07 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002165.16
LogP ≤ 521.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 159609693) is N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is CCC[C@@H]1CN(c2ccccc2)C(=O)N1C1CCN(C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(c3ccccc3N)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C3CC3)C[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is MMNHCORURLDYSS-HZMYTYDBSA-N. The full InChI is InChI=1S/C32H39ClN6O2.C30H42FN5O2.C29H40ClN5O2.C29H38ClN5OS/c1-21-19-29(33)36-23(3)30(21)31(40)35-16-13-22(2)37-17-14-25(15-18-37)39-28(24-9-5-4-6-10-24)20-38(32(39)41)27-12-8-7-11-26(27)34;1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6;1-5-9-25-19-34(23-10-7-6-8-11-23)29(37)35(25)24-13-16-33(17-14-24)21(3)12-15-31-28(36)27-20(2)18-26(30)32-22(27)4;1-19-17-26(30)32-21(3)27(19)28(36)31-14-11-20(2)33-15-12-24(13-16-33)35-25(22-7-5-4-6-8-22)18-34(29(35)37)23-9-10-23/h4-12,19,22,25,28H,13-18,20,34H2,1-3H3,(H,35,40);7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37);6-8,10-11,18,21,24-25H,5,9,12-17,19H2,1-4H3,(H,31,36);4-8,17,20,23-25H,9-16,18H2,1-3H3,(H,31,36)/t22?,28-;2*21?,25-;20?,25-/m0010/s1.
What are the key properties of N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2165.16 g/mol, XLogP of 21.24, 32 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-phenyl-5-propylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 159609693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).