3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide

C15H17N3O2S — CID 43299506

IUPAC3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1ccncc1N
InChIInChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-12(13)18-15(19)7-9-21-14-6-8-17-10-11(14)16/h2-6,8,10H,7,9,16H2,1H3,(H,18,19)
InChIKeyWKKCRLAKMGPFQU-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.79
Rot. Bonds6

About 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide

3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 43299506) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
PubChem CID43299506
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1ccncc1N
InChIInChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-12(13)18-15(19)7-9-21-14-6-8-17-10-11(14)16/h2-6,8,10H,7,9,16H2,1H3,(H,18,19)
InChIKeyWKKCRLAKMGPFQU-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-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43300904
2-[(3-amino-4-pyridinyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 61357480
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
(2R)-2-amino-3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 61142080
3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 66223813
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 134064600
4-[3-(2-bromophenyl)sulfanylpropanoylamino]-N-(2-methoxyphenyl)benzamide
CID 55538942
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176
N-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]-3,5-dimethoxybenzamide
CID 143409221
N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
CID 47449102

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide (CID 43299506) is 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCSc1ccncc1N.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is WKKCRLAKMGPFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-12(13)18-15(19)7-9-21-14-6-8-17-10-11(14)16/h2-6,8,10H,7,9,16H2,1H3,(H,18,19).
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
3-[(3-amino-4-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-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 43299506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).