N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide

C13H14N4OS — CID 144889170

IUPACN-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCSc1cc(-c2ccnc(NC(C)=O)c2)cnc1N
InChIInChI=1S/C13H14N4OS/c1-8(18)17-12-6-9(3-4-15-12)10-5-11(19-2)13(14)16-7-10/h3-7H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyAFEKYIFFXBNZNS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.41
Rot. Bonds3

About N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide

N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 144889170) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID144889170
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCSc1cc(-c2ccnc(NC(C)=O)c2)cnc1N
InChIInChI=1S/C13H14N4OS/c1-8(18)17-12-6-9(3-4-15-12)10-5-11(19-2)13(14)16-7-10/h3-7H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyAFEKYIFFXBNZNS-UHFFFAOYSA-N
XLogP2.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238035
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785667
ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide
CID 144889218
5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 118249210
N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293552
[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea
CID 118298839
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
CID 68805754

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide (CID 144889170) is N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide is CSc1cc(-c2ccnc(NC(C)=O)c2)cnc1N.
What is the InChIKey of N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is AFEKYIFFXBNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8(18)17-12-6-9(3-4-15-12)10-5-11(19-2)13(14)16-7-10/h3-7H,1-2H3,(H2,14,16)(H,15,17,18).
What are the key properties of N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide?
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 274.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 144889170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).