N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide

C15H17N3O2S — CID 10017861

IUPACN-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide
SMILESCOc1cc(-c2ccccn2)nc(CNC(C)=O)c1SC
InChIInChI=1S/C15H17N3O2S/c1-10(19)17-9-13-15(21-3)14(20-2)8-12(18-13)11-6-4-5-7-16-11/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyBQJMSLCILFVYMK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.51
Rot. Bonds5

About N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide

N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide (PubChem CID 10017861) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide
PubChem CID10017861
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide
SMILESCOc1cc(-c2ccccn2)nc(CNC(C)=O)c1SC
InChIInChI=1S/C15H17N3O2S/c1-10(19)17-9-13-15(21-3)14(20-2)8-12(18-13)11-6-4-5-7-16-11/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyBQJMSLCILFVYMK-UHFFFAOYSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide (CID 10017861) is N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide is COc1cc(-c2ccccn2)nc(CNC(C)=O)c1SC.
What is the InChIKey of N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide?
The InChIKey is BQJMSLCILFVYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10(19)17-9-13-15(21-3)14(20-2)8-12(18-13)11-6-4-5-7-16-11/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide?
N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 10017861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).