N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C21H23N3O3S — CID 51054785

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C21H23N3O3S/c1-21(2,3)18-13-28-20(22-18)23-19(26)15-10-16(25)17(11-24(15)4)27-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,22,23,26)
InChIKeyNJARYZWDFOWVSR-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.97
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 51054785) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID51054785
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C21H23N3O3S/c1-21(2,3)18-13-28-20(22-18)23-19(26)15-10-16(25)17(11-24(15)4)27-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,22,23,26)
InChIKeyNJARYZWDFOWVSR-UHFFFAOYSA-N
XLogP3.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
CID 52899896
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59380913
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30859011
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79322066
5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
CID 51052837
5-[(4-fluorophenyl)methoxy]-N,1-dimethyl-4-oxopyridine-2-carboxamide
CID 42441092
benzyl (2R)-2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 24739662

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 51054785) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is NJARYZWDFOWVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-21(2,3)18-13-28-20(22-18)23-19(26)15-10-16(25)17(11-24(15)4)27-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,22,23,26).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 51054785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).