N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

C56H74Cl2FN9O4S — CID 159920397

IUPACN-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)OC[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C30H41ClFN5O2.C26H33ClN4O2S/c1-19-16-26(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;1-17-15-23(27)29-19(3)24(17)25(32)28-12-9-18(2)30-13-10-21(11-14-30)31-22(16-33-26(31)34)20-7-5-4-6-8-20/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-8,15,18,21-22H,9-14,16H2,1-3H3,(H,28,32)/t;18?,22-/m.0/s1
InChIKeyNYIANEOKGZEAKH-VMBPKXBASA-N
MW1059.24 g/mol
LogP10.42
Rot. Bonds14

About N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 159920397) has the molecular formula C56H74Cl2FN9O4S and a molecular weight of 1059.24 g/mol. Its IUPAC name is N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID159920397
Molecular FormulaC56H74Cl2FN9O4S
Molecular Weight1059.24 g/mol
Exact Mass1057.49
IUPAC NameN-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)OC[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C30H41ClFN5O2.C26H33ClN4O2S/c1-19-16-26(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;1-17-15-23(27)29-19(3)24(17)25(32)28-12-9-18(2)30-13-10-21(11-14-30)31-22(16-33-26(31)34)20-7-5-4-6-8-20/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-8,15,18,21-22H,9-14,16H2,1-3H3,(H,28,32)/t;18?,22-/m.0/s1
InChIKeyNYIANEOKGZEAKH-VMBPKXBASA-N
XLogP10.42
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.24
LogP ≤ 510.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 59458050
6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 59458202
6-chloro-2,4-dimethyl-N-[3-[4-[3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 72290636
6-chloro-2,4-dimethyl-N-[3-[4-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 72290753
6-chloro-2,4-dimethyl-N-[3-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 87570563
N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide
CID 159172880

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 159920397) is N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)OC[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is NYIANEOKGZEAKH-VMBPKXBASA-N. The full InChI is InChI=1S/C30H41ClFN5O2.C26H33ClN4O2S/c1-19-16-26(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;1-17-15-23(27)29-19(3)24(17)25(32)28-12-9-18(2)30-13-10-21(11-14-30)31-22(16-33-26(31)34)20-7-5-4-6-8-20/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);4-8,15,18,21-22H,9-14,16H2,1-3H3,(H,28,32)/t;18?,22-/m.0/s1.
What are the key properties of N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 1059.24 g/mol, XLogP of 10.42, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 159920397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).