3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide

C15H17N3O2S — CID 43300904

IUPAC3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1ccc(N)cn1
InChIInChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-12(13)18-14(19)8-9-21-15-7-6-11(16)10-17-15/h2-7,10H,8-9,16H2,1H3,(H,18,19)
InChIKeyUOQHBEOSVZPCRU-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.79
Rot. Bonds6

About 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide

3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 43300904) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
PubChem CID43300904
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1ccc(N)cn1
InChIInChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-12(13)18-14(19)8-9-21-15-7-6-11(16)10-17-15/h2-7,10H,8-9,16H2,1H3,(H,18,19)
InChIKeyUOQHBEOSVZPCRU-UHFFFAOYSA-N
XLogP2.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43299506
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43300903
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23746050
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 134064600
3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 66223813
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
(2R)-2-amino-3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 61142080
6-[(2-methoxyanilino)methyl]pyridin-3-amine
CID 105486827
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide (CID 43300904) is 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCSc1ccc(N)cn1.
What is the InChIKey of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is UOQHBEOSVZPCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-12(13)18-14(19)8-9-21-15-7-6-11(16)10-17-15/h2-7,10H,8-9,16H2,1H3,(H,18,19).
What are the key properties of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 303.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 43300904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).