N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide

C12H14N4O2S — CID 7491474

IUPACN-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC(N)=O)c(C#N)c(C)c1C
InChIInChI=1S/C12H14N4O2S/c1-6-7(2)9(4-13)11(15-8(6)3)19-5-10(17)16-12(14)18/h5H2,1-3H3,(H3,14,16,17,18)
InChIKeyMRDBBEMDGGKJCS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.17
Rot. Bonds3

About N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide

N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7491474) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7491474
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC(N)=O)c(C#N)c(C)c1C
InChIInChI=1S/C12H14N4O2S/c1-6-7(2)9(4-13)11(15-8(6)3)19-5-10(17)16-12(14)18/h5H2,1-3H3,(H3,14,16,17,18)
InChIKeyMRDBBEMDGGKJCS-UHFFFAOYSA-N
XLogP1.17
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 7491456
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-N-phenylbenzamide
CID 24597687
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 17438789
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7491574
2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
CID 739743
N-(2-benzylsulfanylethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7489605
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 40668213
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 17445606
2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
CID 91644305
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(3-piperidin-1-yloxadiazol-3-ium-5-yl)acetamide
CID 53295175

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide (CID 7491474) is N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide is Cc1nc(SCC(=O)NC(N)=O)c(C#N)c(C)c1C.
What is the InChIKey of N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is MRDBBEMDGGKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-6-7(2)9(4-13)11(15-8(6)3)19-5-10(17)16-12(14)18/h5H2,1-3H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7491474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).