N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C24H22N4O4S — CID 38627291

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1OCc1cccnc1
InChIInChI=1S/C24H22N4O4S/c1-16-11-19(28-32-16)15-33-24-20(6-4-10-26-24)23(29)27-18-7-8-21(30-2)22(12-18)31-14-17-5-3-9-25-13-17/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyXPFUJLKHBRHZIC-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.91
Rot. Bonds9

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 38627291) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID38627291
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1OCc1cccnc1
InChIInChI=1S/C24H22N4O4S/c1-16-11-19(28-32-16)15-33-24-20(6-4-10-26-24)23(29)27-18-7-8-21(30-2)22(12-18)31-14-17-5-3-9-25-13-17/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyXPFUJLKHBRHZIC-UHFFFAOYSA-N
XLogP4.91
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 38627291) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is XPFUJLKHBRHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-11-19(28-32-16)15-33-24-20(6-4-10-26-24)23(29)27-18-7-8-21(30-2)22(12-18)31-14-17-5-3-9-25-13-17/h3-13H,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 38627291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).