N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide

C20H21N3O2S — CID 110383047

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCCc1ccc(Cn2cc(C(=O)Nc3nc(C)c(C)s3)ccc2=O)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-15-5-7-16(8-6-15)11-23-12-17(9-10-18(23)24)19(25)22-20-21-13(2)14(3)26-20/h5-10,12H,4,11H2,1-3H3,(H,21,22,25)
InChIKeySUNCZNNHMMYGON-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.78
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 110383047) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID110383047
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCCc1ccc(Cn2cc(C(=O)Nc3nc(C)c(C)s3)ccc2=O)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-15-5-7-16(8-6-15)11-23-12-17(9-10-18(23)24)19(25)22-20-21-13(2)14(3)26-20/h5-10,12H,4,11H2,1-3H3,(H,21,22,25)
InChIKeySUNCZNNHMMYGON-UHFFFAOYSA-N
XLogP3.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383049
N-(3,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382704
1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-6-oxopyridine-3-carboxamide
CID 26844080
1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 8697162
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 176859928
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 47047630
2-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 36780097
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
2-(5-amino-2-oxo-1-pyridinyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 62814622
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411
1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698366

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 110383047) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide is CCc1ccc(Cn2cc(C(=O)Nc3nc(C)c(C)s3)ccc2=O)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is SUNCZNNHMMYGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-15-5-7-16(8-6-15)11-23-12-17(9-10-18(23)24)19(25)22-20-21-13(2)14(3)26-20/h5-10,12H,4,11H2,1-3H3,(H,21,22,25).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110383047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).