2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide

C20H24N2O2S — CID 55873414

IUPAC2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1cccc(NC(=O)c2cccnc2SC2CCCC2)c1
InChIInChI=1S/C20H24N2O2S/c1-2-13-24-16-8-5-7-15(14-16)22-19(23)18-11-6-12-21-20(18)25-17-9-3-4-10-17/h5-8,11-12,14,17H,2-4,9-10,13H2,1H3,(H,22,23)
InChIKeyOFWQGRRWBZMNIC-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.16
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide (PubChem CID 55873414) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
PubChem CID55873414
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1cccc(NC(=O)c2cccnc2SC2CCCC2)c1
InChIInChI=1S/C20H24N2O2S/c1-2-13-24-16-8-5-7-15(14-16)22-19(23)18-11-6-12-21-20(18)25-17-9-3-4-10-17/h5-8,11-12,14,17H,2-4,9-10,13H2,1H3,(H,22,23)
InChIKeyOFWQGRRWBZMNIC-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55872571
2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55874183
2-cyclopentylsulfanyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide
CID 55873136
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 55953413
2-oxo-N-(3-propoxyphenyl)-1H-pyridine-3-carboxamide
CID 38824053
2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55872578
N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55874481
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide (CID 55873414) is 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide is CCCOc1cccc(NC(=O)c2cccnc2SC2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide?
The InChIKey is OFWQGRRWBZMNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-2-13-24-16-8-5-7-15(14-16)22-19(23)18-11-6-12-21-20(18)25-17-9-3-4-10-17/h5-8,11-12,14,17H,2-4,9-10,13H2,1H3,(H,22,23).
What are the key properties of 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 55873414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).