6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid

C121H163Cl4N21O12S — CID 158671976

IUPAC6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid
SMILESCNC(=O)C(C)N1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C(=O)O)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C31H42ClN5O3.C31H42ClN5O2S.C30H41ClN6O3.C29H38ClN5O4/c1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)39)25-12-17-40-18-13-25;1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)40)25-12-17-39-18-13-25;1-19-17-26(31)34-21(3)27(19)29(39)33-14-11-20(2)35-15-12-24(13-16-35)37-25(23-9-7-6-8-10-23)18-36(30(37)40)22(4)28(38)32-5;1-18-16-25(30)32-20(3)26(18)27(36)31-13-10-19(2)33-14-11-23(12-15-33)35-24(22-8-6-5-7-9-22)17-34(29(35)39)21(4)28(37)38/h2*4-8,19,22,25-27H,9-18,20H2,1-3H3,(H,33,38);6-10,17,20,22,24-25H,11-16,18H2,1-5H3,(H,32,38)(H,33,39);5-9,16,19,21,23-24H,10-15,17H2,1-4H3,(H,31,36)(H,37,38)/t2*22?,27-;20?,22?,25-;19?,21?,24-/m0000/s1
InChIKeyIEBFLVDJMCMXAH-ZWTWIGFLSA-N
MW2277.65 g/mol
LogP18.34
Rot. Bonds34

About 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid (PubChem CID 158671976) has the molecular formula C121H163Cl4N21O12S and a molecular weight of 2277.65 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid
PubChem CID158671976
Molecular FormulaC121H163Cl4N21O12S
Molecular Weight2277.65 g/mol
Exact Mass2274.13
IUPAC Name6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid
SMILESCNC(=O)C(C)N1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C(=O)O)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C31H42ClN5O3.C31H42ClN5O2S.C30H41ClN6O3.C29H38ClN5O4/c1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)39)25-12-17-40-18-13-25;1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)40)25-12-17-39-18-13-25;1-19-17-26(31)34-21(3)27(19)29(39)33-14-11-20(2)35-15-12-24(13-16-35)37-25(23-9-7-6-8-10-23)18-36(30(37)40)22(4)28(38)32-5;1-18-16-25(30)32-20(3)26(18)27(36)31-13-10-19(2)33-14-11-23(12-15-33)35-24(22-8-6-5-7-9-22)17-34(29(35)39)21(4)28(37)38/h2*4-8,19,22,25-27H,9-18,20H2,1-3H3,(H,33,38);6-10,17,20,22,24-25H,11-16,18H2,1-5H3,(H,32,38)(H,33,39);5-9,16,19,21,23-24H,10-15,17H2,1-4H3,(H,31,36)(H,37,38)/t2*22?,27-;20?,22?,25-;19?,21?,24-/m0000/s1
InChIKeyIEBFLVDJMCMXAH-ZWTWIGFLSA-N
XLogP18.34
TPSA342.91 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002277.65
LogP ≤ 518.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid?
The IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid (CID 158671976) is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid is CNC(=O)C(C)N1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C(=O)O)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid?
The InChIKey is IEBFLVDJMCMXAH-ZWTWIGFLSA-N. The full InChI is InChI=1S/C31H42ClN5O3.C31H42ClN5O2S.C30H41ClN6O3.C29H38ClN5O4/c1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)39)25-12-17-40-18-13-25;1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)40)25-12-17-39-18-13-25;1-19-17-26(31)34-21(3)27(19)29(39)33-14-11-20(2)35-15-12-24(13-16-35)37-25(23-9-7-6-8-10-23)18-36(30(37)40)22(4)28(38)32-5;1-18-16-25(30)32-20(3)26(18)27(36)31-13-10-19(2)33-14-11-23(12-15-33)35-24(22-8-6-5-7-9-22)17-34(29(35)39)21(4)28(37)38/h2*4-8,19,22,25-27H,9-18,20H2,1-3H3,(H,33,38);6-10,17,20,22,24-25H,11-16,18H2,1-5H3,(H,32,38)(H,33,39);5-9,16,19,21,23-24H,10-15,17H2,1-4H3,(H,31,36)(H,37,38)/t2*22?,27-;20?,22?,25-;19?,21?,24-/m0000/s1.
What are the key properties of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid?
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid has a molecular weight of 2277.65 g/mol, XLogP of 18.34, 34 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 158671976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).