N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C22H20N4O2S — CID 129189982

IUPACN-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESC=C1CCC(=O)N1c1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1
InChIInChI=1S/C22H20N4O2S/c1-13-10-17(26-15(3)4-5-19(26)27)11-14(2)20(13)18-12-29-22(24-18)25-21(28)16-6-8-23-9-7-16/h6-12H,3-5H2,1-2H3,(H,24,25,28)
InChIKeySPKZJVKSCAFPCT-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.71
Rot. Bonds4

About N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 129189982) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID129189982
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESC=C1CCC(=O)N1c1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1
InChIInChI=1S/C22H20N4O2S/c1-13-10-17(26-15(3)4-5-19(26)27)11-14(2)20(13)18-12-29-22(24-18)25-21(28)16-6-8-23-9-7-16/h6-12H,3-5H2,1-2H3,(H,24,25,28)
InChIKeySPKZJVKSCAFPCT-UHFFFAOYSA-N
XLogP4.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442428
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
N-[4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442458
tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate
CID 118013446
tert-butyl 2-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]anilino]acetate
CID 118006052
N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 140940726
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442481
2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442503

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 129189982) is N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is C=C1CCC(=O)N1c1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1.
What is the InChIKey of N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is SPKZJVKSCAFPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-13-10-17(26-15(3)4-5-19(26)27)11-14(2)20(13)18-12-29-22(24-18)25-21(28)16-6-8-23-9-7-16/h6-12H,3-5H2,1-2H3,(H,24,25,28).
What are the key properties of N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 129189982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).