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

C14H15N3O2S — CID 75434522

IUPACN-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCOc1ccnc(NC(=O)CSCc2cccnc2)c1
InChIInChI=1S/C14H15N3O2S/c1-19-12-4-6-16-13(7-12)17-14(18)10-20-9-11-3-2-5-15-8-11/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyMWIINCZOHRJHKR-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.36
Rot. Bonds6

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

N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 75434522) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID75434522
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCOc1ccnc(NC(=O)CSCc2cccnc2)c1
InChIInChI=1S/C14H15N3O2S/c1-19-12-4-6-16-13(7-12)17-14(18)10-20-9-11-3-2-5-15-8-11/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyMWIINCZOHRJHKR-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 86982561
N-(5-chloro-2,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55666455
methyl 2-chloro-5-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55671008
methyl 4-chloro-3-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55669322
N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 86830228
N-[4-(aminomethyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166227163
methyl 2-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 47070400
N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55981281
N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667339
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 49153538
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(pyridin-3-ylmethylsulfanyl)ethanone
CID 55670291

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 75434522) is N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide is COc1ccnc(NC(=O)CSCc2cccnc2)c1.
What is the InChIKey of N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is MWIINCZOHRJHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-19-12-4-6-16-13(7-12)17-14(18)10-20-9-11-3-2-5-15-8-11/h2-8H,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 75434522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).