N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H26N4O3S — CID 46599183

IUPACN,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c(C)c1
InChIInChI=1S/C25H26N4O3S/c1-13-9-14(2)23(15(3)10-13)27-21(30)12-29(6)25(31)18-11-19(20-8-7-16(4)33-20)26-24-22(18)17(5)28-32-24/h7-11H,12H2,1-6H3,(H,27,30)
InChIKeyHKRXGDLSHJLHMN-UHFFFAOYSA-N
MW462.58 g/mol
LogP5.20
Rot. Bonds5

About N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46599183) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46599183
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c(C)c1
InChIInChI=1S/C25H26N4O3S/c1-13-9-14(2)23(15(3)10-13)27-21(30)12-29(6)25(31)18-11-19(20-8-7-16(4)33-20)26-24-22(18)17(5)28-32-24/h7-11H,12H2,1-6H3,(H,27,30)
InChIKeyHKRXGDLSHJLHMN-UHFFFAOYSA-N
XLogP5.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051525
N-(2-anilino-2-oxoethyl)-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55638797
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831644
5-(1,3-benzothiazol-2-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 31177672
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26024614
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47045278
2,3,4,5-tetrafluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 29427521
N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603273
N,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 31523361
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46599183) is N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c(C)c1.
What is the InChIKey of N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HKRXGDLSHJLHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-13-9-14(2)23(15(3)10-13)27-21(30)12-29(6)25(31)18-11-19(20-8-7-16(4)33-20)26-24-22(18)17(5)28-32-24/h7-11H,12H2,1-6H3,(H,27,30).
What are the key properties of N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46599183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).