N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C19H19N3O4S — CID 27667349

IUPACN-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SCc2cc(C)on2)cc(OC)c1
InChIInChI=1S/C19H19N3O4S/c1-12-7-14(22-26-12)11-27-19-17(5-4-6-20-19)18(23)21-13-8-15(24-2)10-16(9-13)25-3/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyGHXAKTCRAWZHJO-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.94
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 27667349) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID27667349
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SCc2cc(C)on2)cc(OC)c1
InChIInChI=1S/C19H19N3O4S/c1-12-7-14(22-26-12)11-27-19-17(5-4-6-20-19)18(23)21-13-8-15(24-2)10-16(9-13)25-3/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyGHXAKTCRAWZHJO-UHFFFAOYSA-N
XLogP3.94
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 47044077
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55887538
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
ethyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 34068599
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36545059
N-(2,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 37345127
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 17427830
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27674807
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 9463227

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 27667349) is N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2SCc2cc(C)on2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is GHXAKTCRAWZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-7-14(22-26-12)11-27-19-17(5-4-6-20-19)18(23)21-13-8-15(24-2)10-16(9-13)25-3/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 27667349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).