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

C13H19N3OS — CID 43300055

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
SMILESCC(Sc1ccncc1N)C(=O)NC1CCCC1
InChIInChI=1S/C13H19N3OS/c1-9(13(17)16-10-4-2-3-5-10)18-12-6-7-15-8-11(12)14/h6-10H,2-5,14H2,1H3,(H,16,17)
InChIKeyYNWAMBOCEZQRTK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.20
Rot. Bonds4

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

2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide (PubChem CID 43300055) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
PubChem CID43300055
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
SMILESCC(Sc1ccncc1N)C(=O)NC1CCCC1
InChIInChI=1S/C13H19N3OS/c1-9(13(17)16-10-4-2-3-5-10)18-12-6-7-15-8-11(12)14/h6-10H,2-5,14H2,1H3,(H,16,17)
InChIKeyYNWAMBOCEZQRTK-UHFFFAOYSA-N
XLogP2.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 51184992
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
N-cyclopentyl-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 25239114
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylpropanamide
CID 43212635

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide (CID 43300055) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide is CC(Sc1ccncc1N)C(=O)NC1CCCC1.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide?
The InChIKey is YNWAMBOCEZQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(13(17)16-10-4-2-3-5-10)18-12-6-7-15-8-11(12)14/h6-10H,2-5,14H2,1H3,(H,16,17).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide has a molecular weight of 265.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 43300055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).