N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C15H17N3O2S — CID 86982561

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCOc1cc(CNC(=O)CSCc2cccnc2)ccn1
InChIInChI=1S/C15H17N3O2S/c1-20-15-7-12(4-6-17-15)9-18-14(19)11-21-10-13-3-2-5-16-8-13/h2-8H,9-11H2,1H3,(H,18,19)
InChIKeyRKCKZGDWHZDKFJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.03
Rot. Bonds7

About N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 86982561) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID86982561
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCOc1cc(CNC(=O)CSCc2cccnc2)ccn1
InChIInChI=1S/C15H17N3O2S/c1-20-15-7-12(4-6-17-15)9-18-14(19)11-21-10-13-3-2-5-16-8-13/h2-8H,9-11H2,1H3,(H,18,19)
InChIKeyRKCKZGDWHZDKFJ-UHFFFAOYSA-N
XLogP2.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707046
N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 75434522
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-[(3-methylphenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)acetamide
CID 47099586
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 86982561) is N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is COc1cc(CNC(=O)CSCc2cccnc2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is RKCKZGDWHZDKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-15-7-12(4-6-17-15)9-18-14(19)11-21-10-13-3-2-5-16-8-13/h2-8H,9-11H2,1H3,(H,18,19).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 86982561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).