2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide

C18H21N3OS — CID 120623308

IUPAC2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(SC3CCCC3)cc2)nc1
InChIInChI=1S/C18H21N3OS/c19-13-5-6-15(20-12-13)11-18(22)21-14-7-9-17(10-8-14)23-16-3-1-2-4-16/h5-10,12,16H,1-4,11,19H2,(H,21,22)
InChIKeyKHYASXSZYWINET-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.88
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide

2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide (PubChem CID 120623308) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
PubChem CID120623308
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(SC3CCCC3)cc2)nc1
InChIInChI=1S/C18H21N3OS/c19-13-5-6-15(20-12-13)11-18(22)21-14-7-9-17(10-8-14)23-16-3-1-2-4-16/h5-10,12,16H,1-4,11,19H2,(H,21,22)
InChIKeyKHYASXSZYWINET-UHFFFAOYSA-N
XLogP3.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
CID 107338694
2-(5-amino-2-pyridinyl)-N-(2-methylcycloheptyl)acetamide
CID 107339059

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide (CID 120623308) is 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide is Nc1ccc(CC(=O)Nc2ccc(SC3CCCC3)cc2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide?
The InChIKey is KHYASXSZYWINET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c19-13-5-6-15(20-12-13)11-18(22)21-14-7-9-17(10-8-14)23-16-3-1-2-4-16/h5-10,12,16H,1-4,11,19H2,(H,21,22).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide is sourced from PubChem (CID 120623308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).