2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide

C11H14N4O2S — CID 43299826

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
SMILESNc1cnccc1SCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H14N4O2S/c12-8-5-13-4-3-9(8)18-6-10(16)15-11(17)14-7-1-2-7/h3-5,7H,1-2,6,12H2,(H2,14,15,16,17)
InChIKeyFFPPJAGLMHWEDE-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.74
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 43299826) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID43299826
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
SMILESNc1cnccc1SCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H14N4O2S/c12-8-5-13-4-3-9(8)18-6-10(16)15-11(17)14-7-1-2-7/h3-5,7H,1-2,6,12H2,(H2,14,15,16,17)
InChIKeyFFPPJAGLMHWEDE-UHFFFAOYSA-N
XLogP0.74
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43301222
2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43241360
N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
CID 43299698
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(azocan-1-yl)ethanone
CID 43299913
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide (CID 43299826) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide is Nc1cnccc1SCC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is FFPPJAGLMHWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-8-5-13-4-3-9(8)18-6-10(16)15-11(17)14-7-1-2-7/h3-5,7H,1-2,6,12H2,(H2,14,15,16,17).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 43299826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).