N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide

C33H24N8O4S2 — CID 168925317

IUPACN-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ncc(-c3ccc(C#N)c(C4CC(C(=O)Nc5ncc(-c6ccc(C#N)cc6)s5)CNC4=O)c3)s2)ccc1=O
InChIInChI=1S/C33H24N8O4S2/c1-41-17-22(8-9-28(41)42)29(43)39-32-38-16-27(47-32)20-6-7-21(13-35)24(10-20)25-11-23(14-36-31(25)45)30(44)40-33-37-15-26(46-33)19-4-2-18(12-34)3-5-19/h2-10,15-17,23,25H,11,14H2,1H3,(H,36,45)(H,37,40,44)(H,38,39,43)
InChIKeyXVBRMMICOIBJBK-UHFFFAOYSA-N
MW660.74 g/mol
LogP4.49
Rot. Bonds7

About N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 168925317) has the molecular formula C33H24N8O4S2 and a molecular weight of 660.74 g/mol. Its IUPAC name is N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID168925317
Molecular FormulaC33H24N8O4S2
Molecular Weight660.74 g/mol
Exact Mass660.14
IUPAC NameN-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ncc(-c3ccc(C#N)c(C4CC(C(=O)Nc5ncc(-c6ccc(C#N)cc6)s5)CNC4=O)c3)s2)ccc1=O
InChIInChI=1S/C33H24N8O4S2/c1-41-17-22(8-9-28(41)42)29(43)39-32-38-16-27(47-32)20-6-7-21(13-35)24(10-20)25-11-23(14-36-31(25)45)30(44)40-33-37-15-26(46-33)19-4-2-18(12-34)3-5-19/h2-10,15-17,23,25H,11,14H2,1H3,(H,36,45)(H,37,40,44)(H,38,39,43)
InChIKeyXVBRMMICOIBJBK-UHFFFAOYSA-N
XLogP4.49
TPSA182.66 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.74
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925758
1-cyano-N-[5-(3-cyanophenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980961
N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide
CID 176646543
N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-5,8-dioxaspiro[3.4]octane-2-carboxamide
CID 168925488
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
(3S)-1-ethynyl-N-[5-(4-ethynylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 155644150
(3S)-1-cyano-N-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980931
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 167847958
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
1-cyano-N-[5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980994
N-[6-(4-cyano-3-propan-2-yloxyphenyl)pyrazin-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 168925499

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 168925317) is N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2ncc(-c3ccc(C#N)c(C4CC(C(=O)Nc5ncc(-c6ccc(C#N)cc6)s5)CNC4=O)c3)s2)ccc1=O.
What is the InChIKey of N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is XVBRMMICOIBJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N8O4S2/c1-41-17-22(8-9-28(41)42)29(43)39-32-38-16-27(47-32)20-6-7-21(13-35)24(10-20)25-11-23(14-36-31(25)45)30(44)40-33-37-15-26(46-33)19-4-2-18(12-34)3-5-19/h2-10,15-17,23,25H,11,14H2,1H3,(H,36,45)(H,37,40,44)(H,38,39,43).
What are the key properties of N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 660.74 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 168925317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).