2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide

C25H25N3O3S — CID 30888032

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3cccnc3SCc3c(C)noc3C)ccc2c1
InChIInChI=1S/C25H25N3O3S/c1-16-23(17(2)31-27-16)15-32-24-22(6-5-11-26-24)25(29)28(3)14-18-7-8-20-13-21(30-4)10-9-19(20)12-18/h5-13H,14-15H2,1-4H3
InChIKeyGQTQAROFBTVCCU-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.41
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 30888032) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID30888032
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3cccnc3SCc3c(C)noc3C)ccc2c1
InChIInChI=1S/C25H25N3O3S/c1-16-23(17(2)31-27-16)15-32-24-22(6-5-11-26-24)25(29)28(3)14-18-7-8-20-13-21(30-4)10-9-19(20)12-18/h5-13H,14-15H2,1-4H3
InChIKeyGQTQAROFBTVCCU-UHFFFAOYSA-N
XLogP5.41
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 47039288
N-[(2-bromophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylpyridine-3-carboxamide
CID 35131480
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751013
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43035784
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 30750024
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38603197
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 35437944
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314
(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55554775
(5-methyl-1,2-oxazol-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 8815152
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 38629316

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide (CID 30888032) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide is COc1ccc2cc(CN(C)C(=O)c3cccnc3SCc3c(C)noc3C)ccc2c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is GQTQAROFBTVCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-16-23(17(2)31-27-16)15-32-24-22(6-5-11-26-24)25(29)28(3)14-18-7-8-20-13-21(30-4)10-9-19(20)12-18/h5-13H,14-15H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 30888032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).